SCHEMBL9965411

SCHEMBL9965411

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
CCR1 P32246 7/20 0.42
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 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
SCHEMBL643978 0.88 MAPT (0.48) LMNATSHRNPSR1MAPTKMT2A
SCHEMBL9965447 0.86 POLB (0.48) LMNAEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL9965376 0.86 SMN1; SMN2 (0.50) LMNAGLATSHRNPSR1MAPT
SCHEMBL9965423 0.85 ALDH1A1 (0.41) LMNAGLATSHRNPSR1MAPT
SCHEMBL5149687 0.84 MAPT (0.45) MAPTSLC6A4HRH3SLC6A2SLC6A3
SCHEMBL10173975 0.84 MAPT (0.45) MAPTSLC6A4HRH3SLC6A2SLC6A3
SCHEMBL9965409 0.83 MEN1 (0.52) LMNANPSR1MAPTKCNH2KMT2A
SCHEMBL641796 0.83 SLC6A4 (0.50) CCR1EPHX2SLC6A4HRH3KCNH2
SCHEMBL642484 0.83 ALDH1A1 (0.55) MAPTL3MBTL1KMT2A
SCHEMBL9965414 0.83 KMT2A (0.49) NPSR1L3MBTL1KMT2A

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 LMNA 3969/4885GLA 4769/4885TSHR 89/4885

“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.