SCHEMBL879283

SCHEMBL879283

Cc1ccc(F)c(CN(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.49
SLC6A2 P23975 7/20 0.49
SLC6A3 Q01959 6/20 0.49
HTR2A P28223 3/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL12074780 0.85 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14088843 0.82 TAAR1 (0.54) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12989930 0.78 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12990001 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL4004859 0.78 TDP1 (0.64) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL10290674 0.77 TAAR1 (0.43) TAAR1HTT
SCHEMBL8239069 0.77 TAAR1 (0.43) MAPTTAAR1HTT
SCHEMBL3851351 0.77 TAAR1 (0.44) HTR2ATAAR1HTT
SCHEMBL7963579 0.77 CCR5 (0.51) SLC6A4SLC6A2SLC6A3HTR2ATDP1
SCHEMBL6265084 0.77 TDP1 (0.61) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1951690-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 (7 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 SLC6A4 2373/4885SLC6A2 3056/4885SLC6A3 4540/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC6A4 4513/4885SLC6A2 4533/4885SLC6A3 4839/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC6A4 4513/4885SLC6A2 4533/4885SLC6A3 4839/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC6A4 4513/4885SLC6A2 4533/4885SLC6A3 4839/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC6A4 4513/4885SLC6A2 4533/4885SLC6A3 4839/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 SLC6A4 2629/4885SLC6A2 3057/4885SLC6A3 4612/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 SLC6A4 2170/4885SLC6A2 2526/4885SLC6A3 1641/4885

“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.