SCHEMBL13162901

SCHEMBL13162901

Cc1ccccc1C(=O)NCC1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 14/20 0.55
▸ CHEK1 O14757 2/20 0.54
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ CHRM1 P11229 2/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48

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
SCHEMBL13162648 0.85 NPC1 (0.59) —
SCHEMBL13162900 0.84 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6175361 0.84 NPC1 (0.61) —
Hydrochloric Acid SCHEMBL2882908 0.83 OPRM1 (0.53) PBKCHEK1
SCHEMBL8297083 0.82 HPGD (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2423748 0.81 KMT2A (0.60) PBKCHEK1CHRM2CHRM3
SCHEMBL8719970 0.81 KMT2A (0.60) PBKCHEK1CHRM2CHRM3
SCHEMBL8719751 0.81 KMT2A (0.60) PBKCHEK1CHRM2CHRM3
SCHEMBL17888464 0.79 MMP13 (0.61) PBK
SCHEMBL1278937 0.77 NPC1 (0.69) PBKCHEK1

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 — — EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 — — 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 PBK 3810/4885CHEK1 3336/4885SLC6A2 1855/4885

“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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