SCHEMBL867931

SCHEMBL867931

CCC(C)(CC)C(=O)NC(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.35
TACR3 P29371 10/20 0.35
TACR2 P21452 4/20 0.35
CNR1 P21554 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL401445 0.92 ADORA1 (0.40) TRPM8TACR3TACR2CNR1ADORA1
SCHEMBL400042 0.86 HSP90AA1 (0.40) TRPM8TACR3TACR2CNR1ADORA1
SCHEMBL19263843 0.80 IGF1R (0.35) TACR3CNR1KDM4EMEN1ALDH1A1
SCHEMBL400548 0.80 ADORA1 (0.43) ADORA1
SCHEMBL13842361 0.78 LMNA (0.43) ADORA1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL10029721 0.78 DRD2 (0.35) TRPM8TACR3CNR1ADORA1
SCHEMBL397153 0.78 TRPM8 (0.33) TRPM8TACR3CNR1ADORA1
SCHEMBL399656 0.77 DRD2 (0.37) TACR3TACR2ADORA1KDM4EMEN1
SCHEMBL399655 0.77 DRD2 (0.37) TACR3TACR2ADORA1KDM4EMEN1
SCHEMBL400227 0.77 ADORA3 (0.42) ADORA1

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-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-03-29 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-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPM8 3884/4885TACR3 2977/4885TACR2 3340/4885

“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.