SCHEMBL424573

SCHEMBL424573

O=C(NC12CC3CC(CC(C3)C1)C2)n1cnc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CNR2 P34972 7/20 0.50
FAAH O00519 2/20 0.49
CNR1 P21554 7/20 0.48
PIN1 Q13526 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BCHE P06276 1/20 0.46
EPHX2 P34913 3/20 0.46
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL425871 0.77 FAAH (0.51) ALDH1A1MAPTSMN1; SMN2NPSR1CNR2
SCHEMBL13307795 0.76 CNR1 (0.59) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL526071 0.74 FAAH (0.52) FAAHRAB9A
SCHEMBL427545 0.72 FAAH (0.47) ALDH1A1SMN1; SMN2NPSR1CNR2FAAH
SCHEMBL532065 0.70 CNR1 (0.47) ALDH1A1HTTSMN1; SMN2CNR2FAAH
SCHEMBL24811025 0.70 CHRM4 (0.44) FAAH
SCHEMBL30484383 0.69 FAAH (0.64) ALDH1A1MAPTHTTNPSR1CNR2
SCHEMBL10645106 0.69 FAAH (0.56) ALDH1A1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL28022136 0.69 FAAH (0.52) MAPTHTTFAAHKDM4ERAB9A
SCHEMBL525635 0.68 CDK5 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ALDH1A1 294/4885CYP1A2 228/4885CYP3A4 457/4885

“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.