SCHEMBL16625642

SCHEMBL16625642

CC(C)(C)N1CCC2(CCCN2)C1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL15078063 0.78 GRIN1 (0.35) OPRM1HTR2B
SCHEMBL12547056 0.78 GRIN1 (0.35) OPRM1HTR2B
SCHEMBL20038287 0.74 GRIN1 (0.37) OPRM1HTR2B
SCHEMBL24740822 0.74 INMT (0.31)
SCHEMBL18806165 0.74
SCHEMBL24112195 0.73 GRIN1 (0.34) OPRM1HTR2B
SCHEMBL18096285 0.69 CACNA1H (0.33)
SCHEMBL14681912 0.69 HRH3 (0.31)
SCHEMBL24740824 0.69 POLB (0.31)
SCHEMBL23835784 0.69 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies NOVARTIS AG (CH) 2018-07-26 US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer NOVARTIS AG (CH) 2016-01-14 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 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 (3 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-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR OPRM1 4720/4885HTR2B 4443/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 OPRM1 4669/4885HTR2B 3539/4885
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 OPRM1 4465/4885HTR2B 3927/4885

“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.