SCHEMBL7906160

SCHEMBL7906160

C[C@H](NC(=O)C1(CC2CC2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.46
DRD3 P35462 2/20 0.43
KIT P10721 1/20 0.43
POLB P06746 2/20 0.42
HSD11B1 P28845 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MC4R P32245 1/20 0.41
HTR2B P41595 1/20 0.41
BDKRB1 P46663 1/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL13092319 0.96 MAPT (0.46) MAPTPTPN1DRD3KITPOLB
SCHEMBL13092320 0.87 POLB (0.47) MAPTPTPN1DRD3KITPOLB
SCHEMBL7912451 0.85 POLB (0.43) MAPTPTPN1DRD3KITPOLB
SCHEMBL13102515 0.85 POLB (0.43) MAPTPTPN1DRD3KITPOLB
SCHEMBL378853 0.81 KIT (0.46) MAPTPTPN1DRD3KITPOLB
SCHEMBL378365 0.81 HSD11B1 (0.53) PTPN1HSD11B1ALDH1A1HTR2B
SCHEMBL13092254 0.81 KIT (0.44) MAPTPTPN1KITPOLBHSD11B1
SCHEMBL7912435 0.80 KIT (0.45) MAPTPTPN1DRD3KITPOLB
SCHEMBL378834 0.78 TACR1 (0.48) KITPOLBHSD11B1
SCHEMBL378387 0.78 POLB (0.58) POLBHSD11B1ALDH1A1LMNAHTT

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 MAPT 1137/4885PTPN1 1883/4885DRD3 7/4885

“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.