SCHEMBL3077260

SCHEMBL3077260

Cc1nc(Oc2ccc3c(c2)CCNCC3)cnc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.41
▸ OPRM1 P35372 12/20 0.40
▸ OPRD1 P41143 12/20 0.40
▸ OPRK1 P41145 9/20 0.40
▸ MLNR O43193 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ CHEK2 O96017 1/20 0.37

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
SCHEMBL5168811 0.83 MLNR (0.40) MLNRCYP2D6
SCHEMBL3097058 0.82 NNMT (0.49) JAK2JAK1JAK3HRH3OPRM1
SCHEMBL3694737 0.77 HRH3 (0.65) HRH3OPRM1OPRD1OPRK1
SCHEMBL3077258 0.72 HRH3 (0.67) JAK2JAK1JAK3HRH3MLNR
SCHEMBL3689547 0.70 HRH3 (0.60) HRH3OPRM1OPRD1OPRK1
SCHEMBL3691171 0.70 HRH3 (0.60) HRH3OPRM1OPRD1OPRK1
SCHEMBL3077653 0.70 HRH3 (0.67) HRH3OPRM1OPRD1OPRK1MLNR
SCHEMBL5181701 0.68 NNMT (0.46) MLNRCYP2D6
SCHEMBL15995001 0.68 NNMT (0.53) —
SCHEMBL5161291 0.67 MLNR (0.39) JAK2JAK1JAK3HRH3MLNR

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-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 — — US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 — — 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-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B JAK2 2528/4885JAK1 3031/4885JAK3 2530/4885

“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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