SCHEMBL3288455

SCHEMBL3288455

COc1cc(C#N)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
SLC6A4 P31645 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MELK Q14680 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
NSD2 O96028 2/20 0.40
KDM1A O60341 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5901267 0.98 AR (0.46) ARSLC6A4LOXL2GAAMAPT
SCHEMBL25809439 0.86 TAAR1 (0.51) HTR2A
SCHEMBL1855982 0.84 AR (0.49) ARSLC6A4GAAMAPTTSHR
SCHEMBL6476469 0.83 TRPV4 (0.54) ARLOXL2MAPTMAPK1MELK
SCHEMBL1715169 0.83 IDO1 (0.51) ARSLC6A4GAAMAPTTSHR
SCHEMBL3551458 0.82 AR (0.47) ARSLC6A4GAAMAPTTSHR
SCHEMBL411153 0.82 AR (0.47) ARSLC6A4GAAMAPTTSHR
SCHEMBL22481567 0.82 AR (0.47) ARSLC6A4GAAMAPTTSHR
SCHEMBL7667004 0.82 AR (0.47) ARSLC6A4GAAMAPTTSHR
SCHEMBL16892231 0.82 AR (0.47) ARSLC6A4GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
US-12497382-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2025-12-16 US disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
CN-119874674-A GLP-1R modulating compounds 吉利德科学公司 2025-04-25 CN disclosed
CN-114630823-B GLP-1R Modulating Compounds 吉利德科学公司 2025-01-28 CN disclosed
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20230391747-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-12-07 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5932567-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
EP-0809651-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
EP-0773955-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
WO-1996024609-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 WO disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 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-11702404-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 AR 1757/4885SLC6A4 1598/4885LOXL2 2893/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 AR 2884/4885SLC6A4 3025/4885LOXL2 2112/4885
US-20230391747-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 AR 1757/4885SLC6A4 1598/4885LOXL2 2893/4885
US-12497382-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 AR 1757/4885SLC6A4 1598/4885LOXL2 2893/4885

“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.