SCHEMBL642393

SCHEMBL642393

Clc1ccc(Oc2ccccc2CNC2CCCNC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.52
HTR2A P28223 5/20 0.52
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
AHCY P23526 1/20 0.43
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
SCN9A Q15858 1/20 0.40
NPY1R P25929 1/20 0.39
KCNH2 Q12809 3/20 0.38
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9295121 0.80 TACR1 (0.56) SLC6A4SLC6A2SLC6A3POLBTACR1
Hydrochloric Acid SCHEMBL27579071 0.74 POLB (0.69) POLB
SCHEMBL9965443 0.73 SLC6A4 (0.48) SLC6A4HTR2ASLC6A2SLC6A3AHCY
SCHEMBL642465 0.72 SLC6A4 (0.52) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL642224 0.72 SLC6A4 (0.46) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL30933835 0.71 NPBWR1 (0.50) SLC6A4SLC6A2SLC6A3AHCYPOLB
SCHEMBL641547 0.71 KMT2A (0.46) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL7696575 0.71 SLC6A2 (0.84) SLC6A4SLC6A2SLC6A3
SCHEMBL642225 0.70 SLC6A4 (0.45) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL640921 0.70 CCR8 (0.57) SLC6A4HTR2ASLC6A2SLC6A3KCNH2

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 11 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

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.