SCHEMBL9068694

SCHEMBL9068694

CC1CC(c2ccccc2)(c2ccccc2)CN1Cc1ccc(C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
MAPT P10636 2/20 0.36
OPRM1 P35372 1/20 0.34
TP53 P04637 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
CXCR3 P49682 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP19A1 P11511 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL4395795 0.89 MAPT (0.42) GRM6MAPTOPRM1DRD4LMNA
SCHEMBL4401474 0.86 MAPT (0.45) GRM6MAPTOPRM1LMNASIGMAR1
SCHEMBL4396042 0.84 SIGMAR1 (0.41) MAPTOPRM1DRD2DRD4SIGMAR1
SCHEMBL11949296 0.84 LMNA (0.44) MAPTOPRM1LMNACXCR3SIGMAR1
SCHEMBL4401549 0.81 HRH2 (0.51) SIGMAR1
SCHEMBL4391091 0.80 CYP3A4 (0.41) MAPTOPRM1CYP19A1SIGMAR1
SCHEMBL4400418 0.78 OPRD1 (0.47) MAPTTP53
SCHEMBL4401478 0.72 MAPT (0.43) MAPTOPRM1DRD4SIGMAR1
SCHEMBL4391046 0.68 MAPT (0.47) GRM6MAPTOPRM1LMNASIGMAR1
SCHEMBL4396595 0.68 CYP3A4 (0.42) MAPTOPRM1CYP19A1SIGMAR1

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-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 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-20090156824-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 GRM6 1550/4885MAPT 3666/4885OPRM1 465/4885

“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.