SCHEMBL5215435

SCHEMBL5215435

CC(C)c1cc(Nc2cccc(F)c2)ncc1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CNR1 P21554 3/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL5212172 0.88 CNR2 (0.68) CNR2KDM4ERAB9ACNR1CYP3A4
SCHEMBL5212332 0.79 CNR2 (0.82) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5215525 0.78 CNR2 (0.63) CNR2RAB9ACNR1CYP3A4CYP2D6
SCHEMBL5213329 0.77 CNR2 (0.62) CNR2RAB9ACNR1ABL1BCR
SCHEMBL12501226 0.77 SMN1; SMN2 (0.58) CNR2KDM4ECNR1CYP3A4CYP2D6
SCHEMBL12477077 0.75 CNR2 (0.58) CNR2KDM4ERAB9ACNR1CYP3A4
SCHEMBL31060708 0.75 CNR2 (0.58) CNR2KDM4ERAB9ACNR1CYP3A4
SCHEMBL14998689 0.74 CNR2 (0.50) CNR2KDM4ERAB9ACNR1CYP3A4
SCHEMBL3379094 0.74 CNR2 (0.58) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3990475 0.74 CNR2 (0.80) CNR2KDM4ERAB9ACNR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 — — EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 — — EP disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 — — 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-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885KDM4E 2124/4885RAB9A 1668/4885

“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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