SCHEMBL9965470

SCHEMBL9965470

CC(=O)N1CCCC(Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK3 P27361 1/20 0.40
CHRM1 P11229 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
MAPK14 Q16539 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL642098 0.96 NPSR1 (0.52) NPSR1MAPTLMNASMN1; SMN2HPGD
SCHEMBL5149687 0.87 MAPT (0.45) MAPTSMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL10173975 0.87 MAPT (0.45) MAPTSMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL5073514 0.86 CHRM1 (0.46) NPSR1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9965435 0.85 CNR1 (0.49) NPSR1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9965376 0.85 SMN1; SMN2 (0.50) NPSR1MAPTLMNASMN1; SMN2HPGD
SCHEMBL9965430 0.84 CNR1 (0.50) NPSR1MAPTLMNAMAPK1KMT2A
SCHEMBL641134 0.84 CNR1 (0.49) NPSR1LMNAHPGDALDH1A1KMT2A
SCHEMBL640961 0.83 CNR1 (0.49) MAPTALDH1A1MAPK1KMT2AL3MBTL1
SCHEMBL9965413 0.82 CNR1 (0.46) NPSR1MAPTLMNASMN1; SMN2HPGD

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 NPSR1 159/4885MAPT 4851/4885LMNA 3969/4885

“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.