SCHEMBL8110752

SCHEMBL8110752

Cc1ccc(-c2ccc(C(=O)O)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.46
LDHA P00338 1/20 0.44
TSHR P16473 1/20 0.44
CHEK1 O14757 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
SRD5A2 P31213 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL29129885 0.88 TP53 (0.57) RAB9AKDM4EPOLBGAAHTT
SCHEMBL17051575 0.82 NPC1 (0.44) RAB9AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL1867087 0.79 TP53 (0.54) RAB9AKDM4EPOLBGAAHTT
SCHEMBL187006 0.78 NAPRT (0.48) RAB9AKDM4EPOLBGAAHTT
SCHEMBL28680918 0.78 RAB9A (0.45) RAB9AKDM4EPOLBGAAHTT
SCHEMBL18653550 0.76 LDHA (0.51) RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL23084949 0.76 MAPT (0.45) RAB9APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL10000239 0.76 NPC1 (0.53) RAB9AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL423171 0.76 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL26038867 0.75 KMT2A (0.50) RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
US-9469631-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-18 US disclosed
US-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-13 US disclosed
EP-2892888-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP disclosed
WO-2014037327-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 (1 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-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF GPR18, GPR39, GPR4 RAB9A 830/4885KDM4E 3363/4885POLB 4403/4885

“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.