SCHEMBL9965447

SCHEMBL9965447

CC(C)CC(=O)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ATF4 P18848 1/20 0.44
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN1 P18031 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 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
SCHEMBL9965413 0.87 CNR1 (0.46) POLBNAMPTL3MBTL1KDM4ECYP2C9
SCHEMBL9965411 0.86 LMNA (0.46) L3MBTL1CYP2C9CYP2C19LMNAEPHX2
SCHEMBL9965377 0.85 POLB (0.42) POLBNAMPTL3MBTL1KDM4ECYP2C9
SCHEMBL643978 0.85 MAPT (0.48) ATF4PKMKDM4ESMN1; SMN2LMNA
SCHEMBL9965420 0.84 GPR183 (0.57) POLBL3MBTL1ATF4KDM4ECYP2C9
SCHEMBL641293 0.84 SLC6A4 (0.47) POLBNAMPTL3MBTL1ATF4KDM4E
SCHEMBL9965423 0.82 ALDH1A1 (0.41) L3MBTL1ATF4PKMKDM4ESMN1; SMN2
SCHEMBL5149687 0.81 MAPT (0.45) PKMKDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL10173975 0.81 MAPT (0.45) PKMKDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL9965409 0.81 MEN1 (0.52) CNR1CNR2LMNAKMT2AMEN1

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 POLB 3790/4885NAMPT 4508/4885L3MBTL1 2752/4885

“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.