SCHEMBL454397

SCHEMBL454397

C1=CC2=C(C3CCCCC3)C3=NC(=C(C4CCCCC4)c4cc(C5CCCCC5)c([nH]4)C4=NC(=C(C5CCCCC5)C1=N2)C=C4)C=C3

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.42
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ GFER P55789 1/20 0.30

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
SCHEMBL17419222 0.65 — —
SCHEMBL28542927 0.64 GCGR (0.62) GCGRNPC1RAB9A
SCHEMBL15243172 0.56 TDO2 (0.43) JAK2JAK1TYK2JAK3PSMB5
SCHEMBL42781 0.53 PTGDR2 (0.48) —
SCHEMBL3795015 0.52 CHRNB2 (0.55) GCGRNPC1RAB9A
SCHEMBL22732970 0.51 DAO (0.50) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL31314522 0.51 DAO (0.45) GCGRNPC1RAB9AKDM4EMAPT
SCHEMBL126782 0.51 PTGDR2 (0.50) GCGR
SCHEMBL31240954 0.51 HTR2C (0.52) PSMB5
SCHEMBL779938 0.50 CHRNB4 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-05-31 — — US claimed
WO-2012033916-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-03-15 — — WO claimed
US-20140073619-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2014-03-13 — — US disclosed
US-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-05-31 — — US disclosed
WO-2012033916-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-03-15 — — WO 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-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN OPRK1, TRPV1, OPRM1 GCGR 4450/4885JAK2 4185/4885JAK1 4805/4885
US-20140073619-A1 METHOD FOR TREATING CHRONIC PAIN OPRK1, TRPV1, OPRM1 GCGR 4450/4885JAK2 4185/4885JAK1 4805/4885

“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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