SCHEMBL9965467

SCHEMBL9965467

Clc1ccc(Oc2ccccc2NC2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2B P41595 6/20 0.47
SLC6A4 P31645 7/20 0.45
HTR1A P08908 5/20 0.45
SLC6A2 P23975 5/20 0.45
SLC6A3 Q01959 5/20 0.45
CXCR2 P25025 1/20 0.42
HTR2A P28223 2/20 0.40
IKBKB O14920 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
SCHEMBL640909 0.83 SLC6A4 (0.48) HTR2CHTR2BSLC6A4HTR1ASLC6A2
SCHEMBL641983 0.78 GAA (0.66) CXCR2
SCHEMBL3043147 0.78 POLB (0.49) HTR2CHTR2BHTR1AIKBKB
Hydrochloric Acid SCHEMBL3040514 0.77 HTR6 (0.49) HTR2CHTR2BHTR1AIKBKB
SCHEMBL14639871 0.76 PKM (0.39) SLC6A4HTR2A
SCHEMBL643978 0.76 MAPT (0.48) CXCR2
SCHEMBL1673520 0.76 HTR2C (0.54) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL4701461 0.75 SLC6A2 (0.77) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL5071388 0.75 DRD2 (0.41) SLC6A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL15819292 0.75 HTR2C (0.55) HTR2C

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 HTR2C 261/4885HTR2B 332/4885SLC6A4 912/4885

“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.