SCHEMBL9965478

SCHEMBL9965478

CC(=O)N1CCC(Nc2ccccc2-c2ccc(C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NSD2 O96028 1/20 0.45
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.43
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK1 P23458 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.40
MAPK3 P27361 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
SCHEMBL9965473 0.91 TSHR (0.54) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL9965412 0.89 MLNR (0.47) TSHRNSD2MAPTALDH1A1CYP3A4
SCHEMBL10224761 0.89 TSHR (0.45) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL9965418 0.89 HDAC3 (0.48) TSHRNSD2MAPTALDH1A1CYP3A4
SCHEMBL9965471 0.86 DYRK1A (0.50) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL14639677 0.86 NSD2 (0.48) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL10224856 0.86 CHRM3 (0.50) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL9965448 0.82 BRD4 (0.42) TSHRBRD4MAPTIDO1ALDH1A1
SCHEMBL9965403 0.81 CHRM3 (0.49) TSHRNSD2BRD4MAPTALDH1A1
SCHEMBL9965383 0.81 HCRTR1 (0.47) TSHRNSD2BRD4MAPTALDH1A1

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 TSHR 89/4885NSD2 1019/4885BRD4 2059/4885

“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.