SCHEMBL13930720

SCHEMBL13930720

Cc1cc(C)n(-c2ccc(NC(=O)CC3CCN([C@H](C)CN(c4ccccc4)S(=O)(=O)Cc4ccccc4)CC3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ OPRM1 P35372 3/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL13930721 0.91 UBE2M (0.39) MAPTOPRM1GRIN1GRIN2B
SCHEMBL13952184 0.85 OPRM1 (0.45) MAPTOPRM1GRIN1GRIN2B
SCHEMBL13930670 0.84 OPRM1 (0.47) ALDH1A1OPRM1GRIN1GRIN2B
SCHEMBL13952138 0.83 OPRM1 (0.41) OPRM1GRIN1GRIN2B
SCHEMBL13930692 0.82 UBE2M (0.49) MAPTALDH1A1OPRM1KMT2AHPGD
SCHEMBL13930729 0.82 RORC (0.56) OPRM1GRIN1GRIN2B
SCHEMBL13930718 0.81 TPSAB1 (0.51) OPRM1GRIN1GRIN2B
SCHEMBL13930722 0.80 OPRM1 (0.41) ALDH1A1KDM4EOPRM1GRIN1GRIN2B
SCHEMBL13930723 0.80 UBE2M (0.43) MAPTOPRM1
SCHEMBL13930730 0.79 UBE2M (0.51) OPRM1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 MAPT 2479/4885ALDH1A1 1/4885KDM4E 1506/4885

“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.

Send feedback