SCHEMBL1012159

SCHEMBL1012159

COC(=O)C1C(=O)C(C(=O)OC)C2CCC1N2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
HIF1A Q16665 1/20 0.51
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A2 P23975 3/20 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
SCHEMBL1010827 0.77 SLC6A3 (0.42) CHRM2CHRM4CHRM3SLC6A4SLC6A3
SCHEMBL17199517 0.75 CYP1A2 (0.46) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL7948341 0.74 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL7955928 0.74 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL1333467 0.74 CYP2D6 (0.35) CYP1A2HIF1AKMT2A
SCHEMBL9729217 0.73 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL11359745 0.73 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL11359734 0.73 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL916946 0.73 ALDH1A1 (0.44) CYP1A2CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL1011715 0.72 CYP1A2 (0.89) CYP1A2HIF1ASLC6A4SLC6A3SLC6A2

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
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed
US-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative NIHON MEDI-PHYSICS CO., LTD. 2003-04-03 US disclosed
US-6486323-B1 Process for producing optically active tropinonemonocarboxylic acid derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-11-26 US disclosed
EP-1118674-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE Nihon Medi-Physics Co., Ltd. (JP) 2001-07-25 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-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative CES2, FTO, HAAO CYP1A2 51/4885HIF1A 3530/4885CHRM2 733/4885

“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.