SCHEMBL378802

SCHEMBL378802

CC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SLC6A7 Q99884 1/20 0.45
ATM Q13315 1/20 0.44
KCNK3 O14649 1/20 0.44
HSD11B1 P28845 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 2/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PPARG P37231 1/20 0.41
TACR1 P25103 1/20 0.41

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 0.89 TACR1 (0.47) KMT2AMEN1SLC6A7ATMHSD11B1
SCHEMBL378790 0.89 TACR1 (0.47) KMT2AMEN1SLC6A7ATMHSD11B1
SCHEMBL7910656 0.89 CYP3A4 (0.42) SLC6A7HSD11B1SMN1; SMN2
SCHEMBL3714839 0.87 NPC1 (0.49) KMT2AMEN1SLC6A7ATMHSD11B1
SCHEMBL7908350 0.86 HSD11B1 (0.46) KMT2AMEN1SLC6A7HSD11B1TACR1
SCHEMBL378834 0.85 TACR1 (0.48) KMT2AMEN1SLC6A7ATMHSD11B1
SCHEMBL7914036 0.84 SLC6A7 (0.45) KMT2AMEN1SLC6A7HSD11B1TSHR
SCHEMBL7900391 0.84 TACR1 (0.43) KMT2AMEN1SLC6A7HSD11B1TACR1
SCHEMBL7910160 0.84 KMT2A (0.48) KMT2AMEN1SLC6A7ATMHSD11B1
SCHEMBL378786 0.83 MEN1 (0.46) KMT2AMEN1SLC6A7ATMHSD11B1

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
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO 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
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

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 SLC6A9 1584/4885KMT2A 1488/4885MEN1 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.