SCHEMBL680436

SCHEMBL680436

CNCCc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.60
GPR84 Q9NQS5 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CNR1 P21554 1/20 0.51
IDO1 P14902 2/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6337215 0.89 GPR84 (0.48) TAAR1GPR84ALDH1A1CNR1IDO1
SCHEMBL24244317 0.87 TAAR1 (0.47) TAAR1GPR84ALDH1A1CNR1IDO1
SCHEMBL6032511 0.84 GPR84 (0.44) TAAR1GPR84ALDH1A1CNR1IDO1
SCHEMBL28650574 0.83 TAAR1 (0.55) TAAR1GPR84ALDH1A1CNR1IDO1
Hydrochloric Acid SCHEMBL28654800 0.82 HTT (0.54) TAAR1GPR84ALDH1A1CNR1IDO1
SCHEMBL18503575 0.81 TAAR1 (0.56) TAAR1GPR84KMT2A
SCHEMBL13840628 0.81 TAAR1 (0.56) TAAR1CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL11621292 0.80 IDO1 (0.65) GPR84CNR1IDO1HTTMAPK1
SCHEMBL6894441 0.80 CNR1 (0.51) TAAR1GPR84ALDH1A1CNR1IDO1
SCHEMBL16212284 0.79 ALDH1A1 (0.56) TAAR1GPR84ALDH1A1CNR1IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452169-B Method for constructing tetrahydroisoquinoline compounds 中国科学院福建物质结构研究所 2021-02-19 CN disclosed
CN-110452169-A A method of building tetrahydroisoquinolicompounds compounds FUJIAN INST RES STR MATTER CAS 2019-11-15 CN disclosed
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 US disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 TAAR1 4461/4885GPR84 3264/4885ALDH1A1 3797/4885
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME HSPH1, HBZ, PITHD1 TAAR1 1682/4885GPR84 1292/4885ALDH1A1 2784/4885
US-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 TAAR1 1627/4885GPR84 259/4885ALDH1A1 1834/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 TAAR1 4747/4885GPR84 3049/4885ALDH1A1 3599/4885
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX TAAR1 1510/4885GPR84 552/4885ALDH1A1 1313/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 TAAR1 2640/4885GPR84 1525/4885ALDH1A1 2070/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 TAAR1 279/4885GPR84 313/4885ALDH1A1 4356/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A TAAR1 4140/4885GPR84 1411/4885ALDH1A1 2805/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.