SCHEMBL7912435

SCHEMBL7912435

C[C@H](NC(=O)C1(C2CCCCC2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 1/20 0.43
PTPN1 P18031 1/20 0.43
MC4R P32245 7/20 0.43
MC5R P33032 7/20 0.43
MC3R P41968 6/20 0.43
MC1R Q01726 6/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL378853 0.99 KIT (0.46) KITMAPTEPHX2PTPN1MC4R
SCHEMBL7908887 0.88 GRM5 (0.45) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL378763 0.88 TACR3 (0.40) KITMAPTMC4RMC5RMC3R
SCHEMBL13092275 0.87 GRM5 (0.45) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL378826 0.86 TACR3 (0.41) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL7907548 0.86 NPC1 (0.42) KITMAPTMC4RMC5RMC3R
SCHEMBL3101440 0.81 HSD11B1 (0.53) EPHX2PTPN1KDM4EMEN1ALDH1A1
SCHEMBL13092319 0.81 MAPT (0.46) KITMAPTPTPN1MC4RPOLB
SCHEMBL13092254 0.81 KIT (0.44) KITMAPTPTPN1POLBMEN1
SCHEMBL7906160 0.80 MAPT (0.47) KITMAPTPTPN1MC4RPOLB

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
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KIT 865/4885MAPT 1137/4885EPHX2 3464/4885

“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.