SCHEMBL9965376

SCHEMBL9965376

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 5/20 0.49
LMNA P02545 5/20 0.49
MAPT P10636 4/20 0.49
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.43
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
EPHX2 P34913 5/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL642098 0.89 NPSR1 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL5073514 0.87 CHRM1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL9965413 0.87 CNR1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL9965411 0.86 LMNA (0.46) KMT2ANPSR1LMNAMAPTCYP2C9
SCHEMBL9965439 0.86 KMT2A (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL9965470 0.85 NPSR1 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL641134 0.84 CNR1 (0.49) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL642145 0.84 KMT2A (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL640961 0.84 CNR1 (0.49) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9965435 0.84 CNR1 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1

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 SMN1; SMN2 3948/4885KMT2A 1997/4885MEN1 3253/4885

“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.