SCHEMBL12031404

SCHEMBL12031404

Nc1noc2ccc(CC(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.41
▸ F10 P00742 9/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ F2 P00734 5/20 0.34
▸ IDO1 P14902 4/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL17442864 0.80 ROCK1 (0.42) AKT1F10SCN9AIDO1GSK3B
SCHEMBL12044601 0.78 RAB9A (0.41) AKT1SCN9A
SCHEMBL28372349 0.78 AKT1 (0.36) AKT1F10SCN9AF2IDO1
Hydrochloric Acid SCHEMBL17442621 0.78 ROCK1 (0.41) AKT1F10SCN9AIDO1GSK3B
SCHEMBL8358457 0.75 NPC1 (0.45) IDO1GSK3B
SCHEMBL2634187 0.75 EPHX2 (0.58) AKT1F10EPHX2F2
SCHEMBL30410154 0.75 EPHX2 (0.58) AKT1F10EPHX2F2
SCHEMBL13486441 0.74 IKBKE (0.45) AKT1SCN9AGSK3BNTRK1
SCHEMBL3547238 0.73 MAPT (0.49) F10SCN9ANTRK1
SCHEMBL2441701 0.72 HTR3A (0.40) SCN9AIDO1GSK3B

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-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 — — US disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 — — 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 AKT1 3431/4885F10 2193/4885EPHX2 322/4885

“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.

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