SCHEMBL16487709

SCHEMBL16487709

CC(C)(C)N1CC2(CCCNC2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
CDK4 P11802 3/20 0.31
SIGMAR1 Q99720 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL15032333 1.00 TRPV4 (0.37) TRPV4CDK4SIGMAR1HDAC3HDAC4
SCHEMBL15032331 0.88 TRPV4 (0.37) TRPV4CDK4HDAC3HDAC4HDAC1
SCHEMBL8811295 0.81 TRPV4 (0.35) TRPV4
SCHEMBL15032332 0.80 TRPV4 (0.38) TRPV4
SCHEMBL15032334 0.80 TRPV4 (0.38) TRPV4
SCHEMBL23220996 0.78 TRPV4 (0.35) TRPV4
SCHEMBL15034399 0.74 TRPV4 (0.35) TRPV4CDK4HDAC3HDAC4HDAC1
SCHEMBL15034579 0.73 TRPV4 (0.35) TRPV4HDAC3HDAC4HDAC1HDAC7
SCHEMBL23663812 0.72 TRPV4 (0.32) TRPV4
SCHEMBL21862136 0.71 HSD11B1 (0.36) TRPV4SIGMAR1

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-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 TRPV4 4355/4885CDK4 1/4885SIGMAR1 3859/4885

“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.