SCHEMBL2053926

SCHEMBL2053926

CCN1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 4/20 0.42
SIGMAR1 Q99720 4/20 0.41
CCR5 P51681 6/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HSD11B1 P28845 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL13738460 0.89 HRH3 (0.43) SMN1; SMN2OPRM1SIGMAR1CCR5HRH3
SCHEMBL13738461 0.89 HRH3 (0.43) SMN1; SMN2OPRM1SIGMAR1CCR5HRH3
SCHEMBL15668110 0.89 HRH3 (0.43) SMN1; SMN2OPRM1SIGMAR1CCR5HRH3
SCHEMBL12617041 0.85 SMN1; SMN2 (0.48) SMN1; SMN2OPRM1SIGMAR1CCR5DRD2
SCHEMBL25479794 0.83 SMN1; SMN2 (0.47) SMN1; SMN2OPRM1SIGMAR1CCR5DRD2
SCHEMBL18346732 0.83 SMN1; SMN2 (0.47) SMN1; SMN2OPRM1SIGMAR1CCR5DRD2
SCHEMBL20462329 0.81 SMN1; SMN2 (0.50) SMN1; SMN2OPRM1SIGMAR1CCR5DRD2
SCHEMBL23696551 0.80 CCR5 (0.47) SMN1; SMN2SIGMAR1CCR5DRD2HTR2A
SCHEMBL4270991 0.80 CCR5 (0.44) CCR5
SCHEMBL3466035 0.80 SMN1; SMN2 (0.44) SMN1; SMN2OPRM1SIGMAR1CCR5HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
CN-101443325-A 2, 4 -diamino pyrimidines as cell cycle kinase inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-27 CN 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 SMN1; SMN2 254/4885OPRM1 457/4885SIGMAR1 478/4885

“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.