SCHEMBL10078800

SCHEMBL10078800

CN(C)/C=C/c1ccc(C(=O)CN)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
PTGS2 P35354 1/20 0.46
BACE1 P56817 2/20 0.41
HCAR3 P49019 5/20 0.41
STAT3 P40763 1/20 0.39
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL12021785 0.89 HCAR3 (0.44) ALDH1A1MAPTPTGS2BACE1HCAR3
SCHEMBL3091095 0.84 HCAR3 (0.58) ALDH1A1MAPTPTGS2HCAR3LMNA
SCHEMBL192101 0.84 HCAR3 (0.58) ALDH1A1MAPTPTGS2HCAR3LMNA
SCHEMBL191304 0.81 VCAM1 (0.53) ALDH1A1MAPTPTGS2BACE1RAB9A
SCHEMBL544067 0.81 ALDH1A1 (0.48) ALDH1A1MAPTPTGS2BACE1HCAR3
SCHEMBL191305 0.81 VCAM1 (0.53) ALDH1A1MAPTPTGS2BACE1RAB9A
SCHEMBL544066 0.81 ALDH1A1 (0.48) ALDH1A1MAPTPTGS2BACE1HCAR3
SCHEMBL7411665 0.75 PTGS2 (0.47) ALDH1A1MAPTPTGS2BACE1HCAR3
SCHEMBL7411663 0.75 PTGS2 (0.47) ALDH1A1MAPTPTGS2BACE1HCAR3
SCHEMBL10079161 0.75 TSHR (0.66) ALDH1A1MAPTRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 ALDH1A1 25/4885MAPT 2926/4885PTGS2 246/4885

“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.