SCHEMBL4946102

SCHEMBL4946102

CC(C)(C)C1CC(CCCc2ccc(F)cc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOB P27338 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CCR3 P51677 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4951736 0.93 MAOB (0.46) MAOB
SCHEMBL4947840 0.83 CCR5 (0.36) CCR5
SCHEMBL4744702 0.81 TEAD1 (0.43)
SCHEMBL15103493 0.78 CCR5 (0.40) CCR5CYP2D6
SCHEMBL23649353 0.78 AKR1C3 (0.34)
SCHEMBL15864996 0.75 SMYD3 (0.30)
SCHEMBL25436699 0.75 CHRM1 (0.40)
SCHEMBL619575 0.75 TYMP (0.33)
SCHEMBL21997631 0.74 SIGMAR1 (0.36)
SCHEMBL7257968 0.74 ITGB3 (0.48)

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (2 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B CCR5 1599/4885CYP2D6 1418/4885MAOB 773/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B CCR5 1599/4885CYP2D6 1418/4885MAOB 773/4885

“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.