SCHEMBL378786

SCHEMBL378786

CC(C)C(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A7 Q99884 2/20 0.46
CCR1 P32246 1/20 0.46
HSD11B1 P28845 1/20 0.44
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
OPRL1 P41146 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FASN P49327 4/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 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
SCHEMBL7908251 0.95 MAPT (0.42) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL437707 0.90 HSD11B1 (0.41) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL3714839 0.88 NPC1 (0.49) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL7910160 0.87 KMT2A (0.48) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL378834 0.86 TACR1 (0.48) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL7907192 0.85 SLC6A7 (0.47) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL13092257 0.85 TSHR (0.50) MEN1KMT2ASLC6A7CCR1HSD11B1
SCHEMBL13092254 0.85 KIT (0.44) MEN1KMT2ASLC6A7HSD11B1POLB
SCHEMBL378790 0.84 TACR1 (0.47) MEN1KMT2ASLC6A7HSD11B1TSHR
SCHEMBL7910338 0.84 TACR1 (0.47) MEN1KMT2ASLC6A7HSD11B1TSHR

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
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 MEN1 4869/4885KMT2A 1488/4885SLC6A7 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.