SCHEMBL9965430

SCHEMBL9965430

O=C(C1CCCCC1)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.50
CNR2 P34972 4/20 0.50
KMT2A Q03164 6/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 4/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CHRM4 P08173 1/20 0.42
MAPK1 P28482 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
SCHEMBL9965435 0.99 CNR1 (0.49) CNR1CNR2KMT2ANPSR1MEN1
SCHEMBL9965398 0.87 SMN1; SMN2 (0.50) CNR1CNR2KMT2AMEN1LMNA
SCHEMBL9965400 0.87 KMT2A (0.51) CNR1CNR2KMT2ANPSR1MEN1
SCHEMBL5073514 0.86 CHRM1 (0.46) KMT2ANPSR1MEN1LMNAMAPT
SCHEMBL9965441 0.86 SMN1; SMN2 (0.48) CNR1CNR2KMT2AMEN1MAPT
SCHEMBL9965414 0.85 KMT2A (0.49) CNR1CNR2KMT2ANPSR1MEN1
SCHEMBL642098 0.85 NPSR1 (0.52) CNR1CNR2KMT2ANPSR1MEN1
SCHEMBL642239 0.84 CNR1 (0.49) CNR1CNR2KMT2ANPSR1MEN1
SCHEMBL9965470 0.84 NPSR1 (0.49) KMT2ANPSR1MEN1LMNAMAPT
SCHEMBL641134 0.84 CNR1 (0.49) CNR1CNR2KMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 CNR1 23/4885CNR2 33/4885KMT2A 1997/4885

“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.