SCHEMBL612644

SCHEMBL612644

COc1cccc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 1/20 0.52
EPHX2 P34913 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACKR3 P25106 2/20 0.50

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
SCHEMBL610175 0.87 TSHR (0.67) TP53TSHRALDH1A1GAAHSD17B10
SCHEMBL612274 0.86 TSHR (0.60) TP53TSHRALDH1A1GAAHSD17B10
SCHEMBL611579 0.83 ALDH1A1 (0.70) TSHRALDH1A1GAAHSD17B10EPHX2
SCHEMBL613140 0.83 ALDH1A1 (0.70) TSHRALDH1A1GAAHSD17B10EPHX2
SCHEMBL23134059 0.82 BCL9 (0.56) TP53TSHRGAAHSD17B10NPC1
SCHEMBL1965039 0.81 MTNR1A (0.70) TP53TSHRMTNR1AMTNR1BMEN1
SCHEMBL1965037 0.81 MTNR1A (0.70) TP53TSHRMTNR1AMTNR1BMEN1
SCHEMBL25308159 0.81 MTNR1A (0.64) TP53MTNR1AMTNR1BNPC1RAB9A
SCHEMBL613135 0.81 NOTUM (0.60) TSHRALDH1A1GAAHSD17B10EPHX2
SCHEMBL28761394 0.81 ALDH1A1 (0.54) TSHRALDH1A1GAAHSD17B10ACKR3

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 14 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
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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 TP53 4602/4885TSHR 1143/4885ALDH1A1 57/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 TP53 4343/4885TSHR 1444/4885ALDH1A1 76/4885

“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.