SCHEMBL1094753

SCHEMBL1094753

CC(=O)NC1(c2ccccc2)CCC2CCC1N2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRL1 P41146 6/20 0.38
OPRM1 P35372 4/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A9 P48067 2/20 0.35
TACR1 P25103 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1096200 0.74 SLC6A9 (0.47) SLC6A9TACR1KCNH2
SCHEMBL1096250 0.74 SLC6A9 (0.47) SLC6A9TACR1KCNH2
SCHEMBL17081973 0.74 SLC6A9 (0.47) SLC6A9TACR1KCNH2
SCHEMBL1096253 0.74 SLC6A9 (0.47) SLC6A9TACR1KCNH2
SCHEMBL1094750 0.74 SLC6A9 (0.47) SLC6A9
SCHEMBL17081980 0.74 SLC6A9 (0.47) SLC6A9TACR1KCNH2
SCHEMBL26840821 0.74 SLC6A9 (0.48) SLC6A9KCNH2
SCHEMBL1095577 0.73 SLC6A9 (0.52) SLC6A9
SCHEMBL1096171 0.73 SLC6A9 (0.52) SLC6A9
SCHEMBL1096519 0.73 SLC6A9 (0.52) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-8153653-B2 Amido-tropane derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8153653-B2 Amido-tropane derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8153653-B2 Amido-tropane derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
WO-2011161006-A1 AMIDO-TROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 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-20110312993-A1 AMIDO-TROPANE DERIVATIVES SLC1A2, SLC18A2, SLC6A1 POLB 4112/4885ALDH1A1 1491/4885KDM4E 4774/4885

“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.