SCHEMBL1798685

SCHEMBL1798685

c1ccc2c(c1)-c1ccccc1C2N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1G O43497 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Hydrochloric Acid SCHEMBL6167962 0.98 CYP1A2 (0.52) CYP1A2CYP2D6ALDH1A1POLBNPSR1
SCHEMBL25579654 0.82 TAAR1 (0.44) TAAR1SMN1; SMN2HTR2CHTR2BMEN1
SCHEMBL14540142 0.81 CYP1A2 (0.37) CYP1A2CYP2D6ALDH1A1POLBNPSR1
SCHEMBL8239748 0.81 TAAR1 (0.50) TAAR1SMN1; SMN2HTR2AHTR2CKMT2A
SCHEMBL6161969 0.81 TAAR1 (0.58) TAAR1
SCHEMBL8118171 0.81 OPRM1 (0.47) TAAR1SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL8067779 0.81 TAAR1 (0.42) TAAR1SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL1524562 0.79 MAPT (0.44) NPSR1TAAR1MAPTSMN1; SMN2MEN1
SCHEMBL8446859 0.79 KDM1A (0.44) CYP2D6ALDH1A1NPSR1TAAR1MAPT
SCHEMBL11391883 0.79 CYP1A2 (0.57) CYP1A2CYP2D6ALDH1A1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200231551-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA 2020-07-23 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-10438688-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-10-08 US disclosed
US-10438688-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-10-08 US disclosed
WO-2019005883-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-01-03 WO disclosed
CN-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN disclosed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
CN-1056842-C Amino acid derivative having anti CCK activity TOBISHI PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0710661-B1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO (JP) 1999-03-31 EP disclosed
US-5716958-A GASTROINTESTINAL DISORDERS; INHIBITORY ACTIVITY ON CHOLECYSTOKININ TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1998-02-10 US disclosed
EP-0710661-A1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-08 EP disclosed
CN-1121515-A Amino acid derivative having anti CCK activity TOBISHI PHARMACEUTICAL CO (JP) 1996-05-01 CN disclosed
EP-0535152-B1 Bis-benzo or benzopyrido cyclo hepta piperidene, piperidylene and piperazine compounds as PAF antagonists and compositions thereof. SCHERING CORP (US) 1995-08-09 EP disclosed
US-5422351-A Antiallergens; antiinflammatory agents SCHERING CORPORATION (US) 1995-06-06 US disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 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 (4 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-20200231551-A1 COMPOSITIONS AND USES THEREOF CYP11B2, NQO1, CYP11B1 CYP1A2 86/4885CYP2D6 188/4885ALDH1A1 274/4885
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 CYP1A2 4271/4885CYP2D6 3836/4885ALDH1A1 1721/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 CYP1A2 4271/4885CYP2D6 3836/4885ALDH1A1 1721/4885
US-10438688-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 CYP1A2 4271/4885CYP2D6 3836/4885ALDH1A1 1721/4885

“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.