SCHEMBL6844829

SCHEMBL6844829

COC(=O)c1ccc2c(c1)CCN2c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.55
SRD5A2 P31213 8/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL699408 0.88 SRD5A1 (0.57) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL8360533 0.88 SRD5A1 (0.50) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL10130835 0.85 OPRM1 (0.45) MEN1KMT2AKDM4EPDK1PDK2
SCHEMBL8362915 0.81 SRD5A1 (0.55) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL13063207 0.78 SRD5A1 (0.50) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL18002657 0.78 MEN1 (0.48) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL22226515 0.77 HPGD (0.54) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL22226471 0.76 HPGD (0.56) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL24100805 0.76 ALDH1A1 (0.52) SRD5A1SRD5A2MEN1KMT2ANPC1
SCHEMBL22226476 0.75 EGFR (0.58) SRD5A1SRD5A2MEN1KMT2ANPC1

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-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SRD5A1 904/4885SRD5A2 1136/4885MEN1 1953/4885

“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.