SCHEMBL14652117

SCHEMBL14652117

CC(C)[C@H]1CC[C@H](NC(=O)C2(O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
OPRL1 P41146 2/20 0.35
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.33
HCRTR2 O43614 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
OPRM1 P35372 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MME P08473 1/20 0.32
EPHX2 P34913 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL14654977 0.83 L3MBTL1 (0.38) KDM5AHPGDDRD2HTR2ADRD3
SCHEMBL25444116 0.81 KDM5A (0.36) KDM5AHPGDBTKMME
SCHEMBL23081198 0.81 KDM5A (0.36) KDM5AHPGDBTKMME
SCHEMBL25444136 0.81 KDM5A (0.36) KDM5AHPGDBTKMME
SCHEMBL14652098 0.81 OPRL1 (0.36) OPRL1HPGDHCRTR2ROCK2ROCK1
SCHEMBL15906230 0.79 EPHX1 (0.50) KDM5AHPGD
SCHEMBL14652103 0.78 OPRL1 (0.35) OPRL1HPGDHCRTR2OPRM1MME
SCHEMBL14652101 0.78 MME (0.37) OPRL1HPGDHCRTR2OPRM1MME
SCHEMBL14652106 0.77 MME (0.41) KDM5AOPRL1HCRTR2OPRM1L3MBTL1
SCHEMBL19132753 0.77 KDM5A (0.36) KDM5AHPGDBTKDRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 KDM5A 787/4885OPRL1 3469/4885HPGD 1359/4885

“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.