SCHEMBL612332

SCHEMBL612332

O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCCN(c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
USP30 Q70CQ3 1/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
NOTUM Q6P988 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CNR1 P21554 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
MFN2 O95140 1/20 0.44
HSD11B1 P28845 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL612333 1.00 ALDH1A1 (0.58) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL4962420 0.93 ALDH1A1 (0.52) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL610299 0.93 ALDH1A1 (0.52) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL613140 0.90 ALDH1A1 (0.70) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL611579 0.90 ALDH1A1 (0.70) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL4004242 0.87 CNR1 (0.56) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL4552162 0.87 CNR1 (0.56) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL612772 0.86 ALDH1A1 (0.57) ALDH1A1USP30DRD2DRD3NOTUM
SCHEMBL10123439 0.85 MMP1 (0.47) ALDH1A1USP30DRD2DRD3TSHR
SCHEMBL612339 0.85 MMP1 (0.47) ALDH1A1USP30DRD2DRD3TSHR

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 ALDH1A1 57/4885USP30 3097/4885DRD2 1035/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885USP30 3325/4885DRD2 1544/4885

“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.