SCHEMBL8964161

SCHEMBL8964161

CCCCCn1ccc(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 5/20 0.39
LMNA P02545 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PABPC1 P11940 1/20 0.39
GALR3 O60755 2/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
PAX8 Q06710 1/20 0.38
NR2F2 P24468 1/20 0.38

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
SCHEMBL23402376 0.94 ALDH1A1 (0.37) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL23399295 0.86
SCHEMBL8305875 0.81 KDM4E (0.33) KDM4E
SCHEMBL292558 0.78 NPC1 (0.40) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL292557 0.77 NPC1 (0.39) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL9020965 0.77 NPC1 (0.42) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL17943853 0.77 NPC1 (0.42) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL474839 0.77 TLR8 (0.44) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL9020584 0.77 NPC1 (0.42) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL9729198 0.76 KDR (0.46) NPC1RAB9AHTTLMNAAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056139-C Preparation of 1-(HET)ary1-3-hydroxypyrazoles BASF AG (DE) 2000-09-06 CN claimed
CN-1112552-A Preparation of 1-(HET)ary1-3-hydroxypyrazoles BASF AG (DE) 1995-11-29 CN claimed
US-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US disclosed
CN-1056139-C Preparation of 1-(HET)ary1-3-hydroxypyrazoles BASF AG (DE) 2000-09-06 CN disclosed
US-5559244-A Preparation of 1-(het) aryl-3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
CN-1112552-A Preparation of 1-(HET)ary1-3-hydroxypyrazoles BASF AG (DE) 1995-11-29 CN 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-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists HTR4, HTR2B, HTR5A NPC1 3349/4885RAB9A 3690/4885HTT 739/4885

“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.