SCHEMBL378643

SCHEMBL378643

O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(CC2CCC2)(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
PTPN1 P18031 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A7 Q99884 2/20 0.47
HTR2B P41595 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
FASN P49327 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL378365 0.95 HSD11B1 (0.53) HSD11B1PTPN1MEN1KMT2ASLC6A7
SCHEMBL378806 0.85 POLB (0.54) HSD11B1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13092319 0.82 MAPT (0.46) HSD11B1PTPN1KMT2AHTR2BALDH1A1
SCHEMBL378387 0.80 POLB (0.58) HSD11B1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL379026 0.80 HSD11B1 (0.51) HSD11B1PTPN1MEN1KMT2ASLC6A7
SCHEMBL378670 0.79 POLB (0.54) HSD11B1PTPN1MEN1KMT2ASLC6A7
SCHEMBL3087329 0.79 SLC6A7 (0.49) HSD11B1PTPN1MEN1KMT2ASLC6A7
SCHEMBL3092569 0.77 HSD11B1 (0.54) HSD11B1PTPN1MEN1KMT2ASLC6A7
SCHEMBL7906160 0.77 MAPT (0.47) HSD11B1PTPN1HTR2BALDH1A1
SCHEMBL378380 0.76 SLC6A7 (0.54) HSD11B1PTPN1MEN1KMT2ASLC6A7

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 9 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-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
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
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 HSD11B1 3638/4885PTPN1 1883/4885MEN1 4869/4885

“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.