SCHEMBL12413703

SCHEMBL12413703

CC(C)C(=O)N1CCC(CN2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
CHRM5 P08912 1/20 0.47
ADRA2C P18825 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL12413654 0.90 MAPT (0.43) MAPTCHRM5ADRA2CGAATHRB
SCHEMBL22520730 0.87 HSD11B1 (0.41) MAPTSMN1; SMN2
SCHEMBL4546615 0.86 CACNA2D1 (0.43) SMN1; SMN2POLB
SCHEMBL23134529 0.85 PIK3CD (0.49) MAPTGAATHRBSMN1; SMN2
SCHEMBL22520608 0.85 HRH3 (0.44) MAPT
SCHEMBL23134733 0.85 PIK3CD (0.49) MAPT
SCHEMBL15029445 0.85 MAPT (0.48) MAPTCHRM5ADRA2CGAATHRB
SCHEMBL23134546 0.84 CACNA2D1 (0.40) MAPTTP53POLB
SCHEMBL24669826 0.83 CACNA2D1 (0.45)
SCHEMBL24669824 0.82 CACNA2D1 (0.41) SMN1; SMN2POLB

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MAPT 2367/4885CHRM5 945/4885ADRA2C 80/4885

“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.