SCHEMBL641336

SCHEMBL641336

NCc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.63
HTR2A P28223 7/20 0.63
SLC6A2 P23975 4/20 0.63
SLC6A3 Q01959 3/20 0.63
HRH1 P35367 1/20 0.53
PPARA Q07869 1/20 0.51
DPP4 P27487 1/20 0.50
SLC1A5 Q15758 1/20 0.49
KCNH2 Q12809 3/20 0.46
HTT P42858 1/20 0.46
PNMT P11086 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL9122819 0.98 SLC6A4 (0.61) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL1196716 0.84 HRH1 (0.71) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL11702925 0.83 SLC6A4 (0.65) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL3289026 0.83 HRH1 (0.55) SLC6A4HTR2ASLC6A2SLC6A3HRH1
Hydrochloric Acid SCHEMBL2462369 0.82 HRH1 (0.69) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL3288360 0.81 SLC6A4 (0.65) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL4639195 0.81 SLC6A4 (0.63) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL9704852 0.81 SLC6A4 (0.63) SLC6A4HTR2ASLC6A2SLC6A3HRH1
SCHEMBL12929642 0.81 SLC6A4 (0.68) SLC6A4HTR2ASLC6A2SLC6A3PPARA
Hydrochloric Acid SCHEMBL3756439 0.81 HRH1 (0.53) SLC6A4HTR2ASLC6A2SLC6A3HRH1

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 15 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
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-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
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
EP-0516234-B1 Phenoxyphenyl derivatives AKZO NOBEL NV (NL) 1995-09-13 EP disclosed
US-5430063-A Antidepressants AKZO N.V. (NL) 1995-07-04 US disclosed
US-5190965-A Treatment of depression AKZO N.V. (NL) 1993-03-02 US disclosed
EP-0516234-A1 Phenoxyphenyl derivatives Akzo Nobel N.V. (NL) 1992-12-02 EP 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 SLC6A4 912/4885HTR2A 636/4885SLC6A2 1455/4885

“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.