SCHEMBL640909

SCHEMBL640909

Clc1ccc(Oc2ccccc2NC2CCNCC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.48
SLC6A2 P23975 6/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
SLC6A3 Q01959 6/20 0.44
RHEB Q15382 1/20 0.41
CHRM1 P11229 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NR1I2 O75469 1/20 0.40
TTR P02766 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
CBR1 P16152 1/20 0.40
TBXA2R P21731 1/20 0.40
AGTR1 P30556 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
SCHEMBL9965467 0.83 HTR2C (0.47) SLC6A4SLC6A2HTR1AHTR2CHTR2B
SCHEMBL641183 0.81 GAA (0.53) SLC6A4SLC6A2HTR1ACHRM1MAPT
SCHEMBL5073514 0.79 CHRM1 (0.46) CHRM1LMNAMAPTTTR
SCHEMBL642098 0.78 NPSR1 (0.52) SLC6A4SLC6A2SLC6A3CHRM1LMNA
SCHEMBL4701469 0.77 SLC6A4 (0.67) SLC6A4SLC6A2HTR1AHTR2CSLC6A3
SCHEMBL27644583 0.77 RAB9A (0.44) SLC6A4SLC6A2SLC6A3MAPTDDR1
SCHEMBL9965427 0.77 HTR4 (0.49) SLC6A4SLC6A2HTR1ACHRM1MAPT
SCHEMBL5073458 0.77 MCHR1 (0.43) SLC6A4SLC6A2SLC6A3CHRM1LMNA
SCHEMBL641134 0.76 CNR1 (0.49) CHRM1LMNAHPGD
SCHEMBL641135 0.76 MAPT (0.42) SLC6A4SLC6A2HTR1AHTR2CSLC6A3

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 10 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

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 912/4885SLC6A2 1455/4885HTR1A 420/4885

“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.