SCHEMBL7908348

SCHEMBL7908348

O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NC(c2ccccc2)C2CC2)(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
OPRL1 P41146 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A7 Q99884 2/20 0.45
MEN1 O00255 1/20 0.45
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAMTS1 Q9UHI8 1/20 0.43
ADAMTS7 Q9UKP4 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
FASN P49327 2/20 0.40
ATM Q13315 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7912322 0.92 HSD11B1 (0.41) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL378327 0.92 HSD11B1 (0.41) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL7907192 0.84 SLC6A7 (0.47) HSD11B1KMT2ASLC6A7MEN1TSHR
SCHEMBL7908350 0.84 HSD11B1 (0.46) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL378790 0.83 TACR1 (0.47) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL7910338 0.83 TACR1 (0.47) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL378786 0.83 MEN1 (0.46) HSD11B1OPRL1KMT2ASLC6A7MEN1
SCHEMBL3714839 0.83 NPC1 (0.49) HSD11B1KMT2ASLC6A7MEN1TSHR
SCHEMBL13092454 0.81 GRM5 (0.42) OPRL1KMT2AMEN1RAB9A
SCHEMBL378834 0.81 TACR1 (0.48) HSD11B1KMT2ASLC6A7MEN1TSHR

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 HSD11B1 3638/4885OPRL1 2/4885KMT2A 1488/4885

“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.