SCHEMBL9965403

SCHEMBL9965403

CC(=O)N1CCC(Nc2ccccc2-c2cccc(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.49
NSD2 O96028 1/20 0.45
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
TSHR P16473 1/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 1/20 0.43
BRD4 O60885 1/20 0.42
JAK1 P23458 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MAPT P10636 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL10224856 0.88 CHRM3 (0.50) CHRM3NSD2TSHRIRAK1IRAK4
SCHEMBL9965473 0.87 TSHR (0.54) CHRM3NSD2TSHRBRD4JAK1
SCHEMBL9965477 0.87 IRAK1 (0.45) NSD2TSHRIRAK1IRAK4BRD4
SCHEMBL9965410 0.87 CHRM3 (0.50) CHRM3NSD2TSHRIRAK1IRAK4
SCHEMBL9965478 0.81 TSHR (0.46) NSD2TSHRBRD4JAK1JAK2
SCHEMBL9965434 0.81 NSD2 (0.52) NSD2BRD4JAK1JAK2TYK2
SCHEMBL10224761 0.81 TSHR (0.45) NSD2TSHRBRD4JAK1JAK2
SCHEMBL9965418 0.81 HDAC3 (0.48) CHRM3NSD2TSHRMAPTALDH1A1
SCHEMBL9965412 0.81 MLNR (0.47) CHRM3NSD2TSHRMAPTALDH1A1
SCHEMBL9965469 0.79 DYRK1A (0.53) MAPTALDH1A1DYRK1A

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 CHRM3 129/4885NSD2 1019/4885RET 391/4885

“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.