SCHEMBL378853

SCHEMBL378853

C[C@H](NC(=O)C1(C2CCCC2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 2/20 0.43
HSD11B1 P28845 2/20 0.43
EPHX2 P34913 1/20 0.42
MC4R P32245 4/20 0.42
MC5R P33032 4/20 0.42
MC3R P41968 4/20 0.42
MC1R Q01726 4/20 0.42
DRD3 P35462 2/20 0.42
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL7912435 0.99 KIT (0.45) KITMAPTPTPN1POLBHSD11B1
SCHEMBL13092275 0.88 GRM5 (0.45) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL7907548 0.87 NPC1 (0.42) KITMAPTMC4RMC5RMC3R
SCHEMBL7908887 0.87 GRM5 (0.45) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL378826 0.87 TACR3 (0.41) KITMAPTMEN1ALDH1A1KMT2A
SCHEMBL378763 0.87 TACR3 (0.40) KITMAPTMC4RMC5RMC3R
SCHEMBL13092319 0.82 MAPT (0.46) KITMAPTPTPN1POLBHSD11B1
SCHEMBL13092254 0.81 KIT (0.44) KITMAPTPTPN1POLBHSD11B1
SCHEMBL7906160 0.81 MAPT (0.47) KITMAPTPTPN1POLBHSD11B1
SCHEMBL7907303 0.81 MC4R (0.40) MC4RMC5RMC3RMC1R

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-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP claimed
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
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP 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

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 1137/4885PTPN1 1883/4885

“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.