SCHEMBL6380218

SCHEMBL6380218

C=C1CCCCn2nc(C(=O)OCC)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 3/20 0.40
FAAH O00519 3/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6384282 0.96 FAAH (0.40) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL6381453 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL6385372 0.82 CYP1A2 (0.44) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL2928372 0.81 NPC1 (0.43) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL6379433 0.80 NPC1 (0.44) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL19737282 0.77 FAAH (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL2929174 0.77 NPC1 (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL12797113 0.76 GABRP (0.47) KDM4EKMT2AFAAHALDH1A1L3MBTL1
SCHEMBL1835860 0.75 KMT2A (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL23980134 0.74 CYP1A2 (0.46) KMT2AFAAHALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B NPC1 3153/4885RAB9A 436/4885KDM4E 1687/4885

“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.