SCHEMBL7900391

SCHEMBL7900391

O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)N[C@@H](CO)c2ccc(F)cc2)(c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
PTPN1 P18031 1/20 0.41
SLC6A7 Q99884 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HSD11B1 P28845 2/20 0.39
MAPT P10636 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL7910338 0.95 TACR1 (0.47) TACR1SLC6A7MEN1KMT2AHSD11B1
SCHEMBL378790 0.95 TACR1 (0.47) TACR1SLC6A7MEN1KMT2AHSD11B1
SCHEMBL13092254 0.85 KIT (0.44) TACR1PTPN1SLC6A7MEN1KMT2A
SCHEMBL7910656 0.84 CYP3A4 (0.42) PTPN1SLC6A7POLBHSD11B1
SCHEMBL7900653 0.84 PTPN1 (0.42) PTPN1SLC6A7MEN1KMT2AHDAC3
SCHEMBL378802 0.84 SLC6A9 (0.47) TACR1SLC6A7MEN1KMT2AHSD11B1
SCHEMBL7908350 0.84 HSD11B1 (0.46) TACR1PTPN1SLC6A7MEN1KMT2A
SCHEMBL7908251 0.83 MAPT (0.42) PTPN1SLC6A7MEN1KMT2AHDAC3
SCHEMBL378834 0.80 TACR1 (0.48) TACR1SLC6A7MEN1KMT2APOLB
SCHEMBL7907192 0.80 SLC6A7 (0.47) TACR1SLC6A7MEN1KMT2AHSD11B1

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 TACR1 19/4885PTPN1 1883/4885SLC6A7 105/4885

“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.