SCHEMBL9965400

SCHEMBL9965400

O=C(C1CCCCC1)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.47
NAMPT P43490 1/20 0.45
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL9965414 0.99 KMT2A (0.49) KMT2ANPSR1MEN1NAMPTCNR1
SCHEMBL9965430 0.87 CNR1 (0.50) KMT2ANPSR1MEN1CNR1CNR2
SCHEMBL9965435 0.85 CNR1 (0.49) KMT2ANPSR1MEN1CNR1CNR2
SCHEMBL643978 0.84 MAPT (0.48) KMT2ANPSR1TSHR
SCHEMBL5149687 0.83 MAPT (0.45) KMT2A
SCHEMBL10173975 0.83 MAPT (0.45) KMT2A
SCHEMBL9965409 0.83 MEN1 (0.52) KMT2ANPSR1MEN1CNR1CNR2
SCHEMBL641547 0.82 KMT2A (0.46) KMT2ANPSR1MEN1NAMPT
SCHEMBL9965411 0.82 LMNA (0.46) KMT2ANPSR1L3MBTL1TSHR
SCHEMBL9965423 0.82 ALDH1A1 (0.41) KMT2ANPSR1MEN1CNR1L3MBTL1

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 KMT2A 1997/4885NPSR1 159/4885MEN1 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.