SCHEMBL12259441

SCHEMBL12259441

CCC(=O)N1CCC(C(C)C)(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BLM P54132 1/20 0.40
EPHX2 P34913 4/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 2/20 0.36
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 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
SCHEMBL15247314 0.81 OPRM1 (0.41) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL10074073 0.79 ALDH1A1 (0.45) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL24606816 0.77 TSHR (0.50) ALDH1A1POLBL3MBTL1CYP2D6TSHR
SCHEMBL12258778 0.77 PIK3CD (0.45) ALDH1A1EPHX2CYP2D6MEN1TSHR
SCHEMBL15998851 0.77 ALDH1A1 (0.47) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL13360768 0.77 ALDH1A1 (0.52) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL327615 0.77 ALDH1A1 (0.47) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL23806494 0.77 CYP2D6 (0.65) ALDH1A1CYP2D6TSHR
SCHEMBL17172990 0.76 ALDH1A1 (0.47) OPRM1ALDH1A1BLMEPHX2CHRNB2
SCHEMBL17172989 0.76 ALDH1A1 (0.47) OPRM1ALDH1A1BLMEPHX2CHRNB2

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-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 OPRM1 3049/4885ALDH1A1 1552/4885BLM 4864/4885

“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.