SCHEMBL613140

SCHEMBL613140

O=C(NC1CCCCCC1)[C@H]1CCCN(c2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
USP30 Q70CQ3 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
EPHX2 P34913 3/20 0.56
NOTUM Q6P988 1/20 0.52
CNR1 P21554 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL611579 1.00 ALDH1A1 (0.70) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL4006089 0.92 DRD2 (0.61) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL4148809 0.92 DRD2 (0.61) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL4007370 0.92 DRD2 (0.61) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL4006081 0.92 DRD2 (0.61) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL612333 0.90 ALDH1A1 (0.58) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL612332 0.90 ALDH1A1 (0.58) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL612581 0.89 ALDH1A1 (0.59) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL612772 0.88 ALDH1A1 (0.57) ALDH1A1DRD2DRD3USP30SMN1; SMN2
SCHEMBL612274 0.85 TSHR (0.60) ALDH1A1DRD2DRD3SMN1; SMN2GAA

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 57/4885DRD2 1035/4885DRD3 1141/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885DRD2 1544/4885DRD3 1551/4885

“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.