SCHEMBL949321

SCHEMBL949321

CC([C]=O)(N1CCCCC1)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 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
SCHEMBL946281 1.00 CYP2B6 (0.35) CYP2B6
SCHEMBL946474 0.87 TSHR (0.35)
SCHEMBL1035871 0.79 CYP2B6 (0.35) CYP2B6
SCHEMBL5243915 0.69 CYP2B6 (0.39) CYP2B6
SCHEMBL23988087 0.67 CYP2B6 (0.42) CYP2B6
SCHEMBL24928097 0.67 CYP2B6 (0.42) CYP2B6
SCHEMBL24928198 0.67 CYP2B6 (0.42) CYP2B6
SCHEMBL24927970 0.67 CYP2B6 (0.42) CYP2B6
SCHEMBL24928774 0.67 CYP2B6 (0.42) CYP2B6
SCHEMBL20436456 0.67 CYP2B6 (0.42) CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 CYP2B6 856/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 CYP2B6 856/4885

“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.