SCHEMBL10243319

SCHEMBL10243319

CC(=O)C1C(=O)CC2CCC1N2C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7248550 0.86 TDP1 (0.44) CYP1A2HIF1AMAPK1TDP1MEN1
SCHEMBL7351208 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL19807632 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL21322442 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL18012494 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL1012062 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL1012152 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL7351213 0.81 CYP1A2 (0.59) CYP1A2HIF1A
SCHEMBL8108146 0.79 CYP1A2 (0.42) CYP1A2HIF1AMAPK1CHRM2CHRM1
SCHEMBL10243763 0.77 CYP1A2 (0.56) CYP1A2HIF1AMAPK1TDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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 (2 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 CYP1A2 31/4885HIF1A 1987/4885MAPK1 1305/4885
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 CYP1A2 36/4885HIF1A 1520/4885MAPK1 808/4885

“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.