SCHEMBL9965404

SCHEMBL9965404

CC(=O)N1CCC(Nc2cc(F)ccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
MAPT P10636 1/20 0.47
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 1/20 0.44
OPRL1 P41146 2/20 0.43
AHCY P23526 1/20 0.43
SLC6A4 P31645 5/20 0.42
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TACR3 P29371 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
CCR5 P51681 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
SCHEMBL643978 0.87 MAPT (0.48) MAPTLMNAALDH1A1HPGD
SCHEMBL10173975 0.83 MAPT (0.45) MAPTAHCYSLC6A4HRH3SLC6A2
SCHEMBL5149687 0.83 MAPT (0.45) MAPTAHCYSLC6A4HRH3SLC6A2
SCHEMBL14639719 0.83 KDM4E (0.49) MAPTHTR2CHTR2BSLC6A4HTR2A
SCHEMBL9965468 0.82 MAPT (0.46) MAPTHTR2CHTR2BAHCYSLC6A4
SCHEMBL2884743 0.79 MAPT (0.43) MAPTLMNASLC6A4HTR2AHRH3
SCHEMBL642098 0.77 NPSR1 (0.52) MAPK14MAPTLMNASLC6A4SLC6A2
SCHEMBL9965411 0.75 LMNA (0.46) MAPTLMNASLC6A4KCNH2HRH3
SCHEMBL9965423 0.75 ALDH1A1 (0.41) MAPTLMNAAHCYSLC6A4HRH3
SCHEMBL9965470 0.74 NPSR1 (0.49) MAPK14MAPTLMNAALDH1A1HPGD

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 5 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

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 MAPK14 2679/4885MAPT 4851/4885HTR2C 261/4885

“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.