SCHEMBL14652103

SCHEMBL14652103

CC(C)[C@H]1CC[C@H](NC(=O)C2(N)CCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.35
HPGD P15428 2/20 0.35
MME P08473 2/20 0.34
HCRTR2 O43614 1/20 0.33
GGPS1 O95749 1/20 0.33
OPRM1 P35372 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC15A2 Q16348 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
EPHX1 P07099 2/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL14652101 0.97 MME (0.37) OPRL1HPGDMMEHCRTR2OPRM1
SCHEMBL14652098 0.93 OPRL1 (0.36) OPRL1HPGDMMEHCRTR2OPRM1
SCHEMBL14654900 0.85 EPHX1 (0.37) HPGDMMEGGPS1NPC1RAB9A
SCHEMBL15906204 0.81 EPHX1 (0.50) HPGDMMENPC1RAB9ASMN1; SMN2
SCHEMBL23663375 0.78 EPHX2 (0.39) HPGDMMENPC1RAB9ASMN1; SMN2
SCHEMBL14654962 0.78 L3MBTL1 (0.37) HPGDMMENPC1RAB9ASMN1; SMN2
SCHEMBL15906234 0.78 EPHX1 (0.50) HPGDMMENPC1RAB9ASMN1; SMN2
SCHEMBL14652117 0.78 KDM5A (0.38) OPRL1HPGDMMEHCRTR2OPRM1
SCHEMBL11857733 0.77 EPHX1 (0.46) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14652106 0.76 MME (0.41) OPRL1MMEHCRTR2OPRM1LMNA

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 OPRL1 3469/4885HPGD 1359/4885MME 4725/4885

“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.