SCHEMBL641135

SCHEMBL641135

O=Cc1ccccc1N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.40
RBP4 P02753 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TTR P02766 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 3/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ENPP2 Q13822 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL5073458 0.81 MCHR1 (0.43) MAPTPLA2G1BATG4BLMNAALDH1A1
SCHEMBL5073514 0.79 CHRM1 (0.46) MAPTPLA2G1BATG4BNPSR1LMNA
SCHEMBL642098 0.78 NPSR1 (0.52) MAPTPLA2G1BATG4BNPSR1LMNA
SCHEMBL641134 0.76 CNR1 (0.49) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL640961 0.76 CNR1 (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9965376 0.76 SMN1; SMN2 (0.50) MAPTNPSR1LMNAALDH1A1SLC6A2
SCHEMBL9965435 0.76 CNR1 (0.49) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL640909 0.76 SLC6A4 (0.48) MAPTLMNATTRSLC6A2SLC6A4
SCHEMBL9965430 0.75 CNR1 (0.50) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL9965470 0.75 NPSR1 (0.49) MAPTNPSR1LMNAALDH1A1MEN1

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-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 MAPT 4851/4885PLA2G1B 3614/4885ATG4B 4069/4885

“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.