SCHEMBL3335441

SCHEMBL3335441

Cc1ccc(-c2nc3ccccc3[nH]2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 1.00
RAB9A P51151 13/20 1.00
PKM P14618 6/20 1.00
KDM4E B2RXH2 11/20 0.68
ALDH1A1 P00352 10/20 0.68
EPHX2 P34913 2/20 0.62
LDHA P00338 1/20 0.62
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 10/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
TP53 P04637 2/20 0.57
GFER P55789 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ABCB11 O95342 1/20 0.56

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
SCHEMBL14969101 0.82 NPC1 (0.69) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL29855452 0.82 NPC1 (0.69) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL19064366 0.82 NPC1 (0.69) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL18365245 0.81 NPC1 (0.68) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL2415345 0.81 NPC1 (1.00) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL10695095 0.81 NPC1 (0.68) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL12402878 0.81 NPC1 (0.68) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL3054720 0.81 NPC1 (0.68) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL29386825 0.80 NPC1 (0.88) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL2178266 0.80 NPC1 (0.88) NPC1RAB9APKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-4192880-A ANALGESICS, ANTIINFLAMMATORY AGENTS KANEBO, LTD. (JP) 1980-03-11 US disclosed
US-4188486-A 2-Substituted benzimidazole compounds KANEBO, LTD. (JP) 1980-02-12 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 (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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 NPC1 223/4885RAB9A 687/4885PKM 282/4885

“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.