SCHEMBL959210

SCHEMBL959210

O=C(NN1CCCC1)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.56
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 13/20 0.44

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
SCHEMBL957882 0.84 MAP4K4 (0.54)
SCHEMBL959319 0.81 MRGPRX4 (0.61) NPC1RAB9ACNR1
SCHEMBL958072 0.80 L3MBTL1 (0.51) CNR2NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL960594 0.78 CTSL (0.44) NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL958854 0.78 CNR2 (0.59) CNR2NPC1RAB9A
SCHEMBL956572 0.77 GPR52 (0.48) CNR1
SCHEMBL962349 0.76 GPR52 (0.45) CNR2SMN1; SMN2CNR1
SCHEMBL957915 0.73 MRGPRX4 (0.50) CNR1
SCHEMBL958823 0.72 MRGPRX4 (0.49)
SCHEMBL14152082 0.72 CNR2 (1.00) CNR2CNR1

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 CNR2 36/4885NPC1 2153/4885RAB9A 1785/4885

“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.