SCHEMBL22623985

SCHEMBL22623985

CC(C)(C)N1CCC(F)(F)C(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
GRIN1 Q05586 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK14 Q16539 2/20 0.34
HTR2B P41595 1/20 0.34
RIPK1 Q13546 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TACR3 P29371 1/20 0.33

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
SCHEMBL28710684 0.85 ALDH1A1 (0.40) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21216554 0.81 NPSR1 (0.43) ALDH1A1
SCHEMBL28496874 0.74 GRIN2B (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23594430 0.73 ATM (0.30)
SCHEMBL23594414 0.73 ATM (0.30)
SCHEMBL13551805 0.71 CARM1 (0.52) KCNH2ALDH1A1TACR3
SCHEMBL13551807 0.70 CCR3 (0.44)
SCHEMBL22959569 0.69 SLC6A2 (0.40)
SCHEMBL13551814 0.69 CARM1 (0.55) TACR3
SCHEMBL22966395 0.69 SLC6A2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 GRIN2D 1442/4885GRIN3B 1460/4885CHRM2 3905/4885

“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.