SCHEMBL613617

SCHEMBL613617

CC(=O)Nc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CCC(O)CC4)C3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ OGA O60502 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MCHR1 Q99705 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
SCHEMBL4960299 1.00 KMT2A (0.47) KMT2APOLBMEN1ALDH1A1NPC1
SCHEMBL4962503 0.90 KMT2A (0.51) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL4962513 0.90 KMT2A (0.51) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL613039 0.88 USP30 (0.48) ALDH1A1GAATSHRHSD17B10HPGD
SCHEMBL612692 0.87 GPBAR1 (0.49) KMT2APOLBMEN1GAATSHR
SCHEMBL4962181 0.87 GPBAR1 (0.49) KMT2APOLBMEN1GAATSHR
SCHEMBL613084 0.86 RAB9A (0.48) KMT2APOLBMEN1ALDH1A1NPC1
SCHEMBL27665014 0.86 RAB9A (0.48) KMT2APOLBMEN1ALDH1A1NPC1
SCHEMBL612641 0.84 RET (0.54) —
SCHEMBL613561 0.84 NPC1 (0.49) KMT2ANPC1RAB9AGAATSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 — — US claimed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 — — US claimed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 — — US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 — — US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 — — US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 — — US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 — — US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 — — US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 — — US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 — — US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 — — US disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 — — 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 (2 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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 KMT2A 2726/4885POLB 1184/4885MEN1 1779/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 KMT2A 3003/4885POLB 1100/4885MEN1 2435/4885

“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.

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