SCHEMBL43705

SCHEMBL43705

COc1cc(CNC(=O)C2CNC2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.57
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52

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
SCHEMBL6336112 0.86 ERCC1 (0.69) TRPV1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL38771 0.83 TRPV1 (0.53) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15225394 0.83 ACHE (0.53) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11981523 0.81 ACHE (0.66) TRPV1ALDH1A1ALOX15NPC1PKM
SCHEMBL13620266 0.81 ACHE (0.62) TRPV1ALDH1A1ALOX15NPC1PKM
SCHEMBL42585 0.80 NPC1 (0.83) SMN1; SMN2NPC1PKMRAB9A
SCHEMBL11897054 0.79 ACHE (0.60) TRPV1ALDH1A1ALOX15NPC1PKM
Hydrochloric Acid SCHEMBL43718 0.79 NPC1 (0.82) SMN1; SMN2NPC1PKMRAB9A
SCHEMBL11897114 0.79 ACHE (0.60) TRPV1ALDH1A1ALOX15NPC1PKM
SCHEMBL11897053 0.79 ACHE (0.60) TRPV1ALDH1A1ALOX15NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484664-B1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO (JP) 2013-09-04 EP disclosed
US-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
EP-2484664-A1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
EP-2277861-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-26 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 TRPV1 247/4885ALDH1A1 643/4885SMN1; SMN2 1158/4885

“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.