SCHEMBL4662634

SCHEMBL4662634

Cn1ncc2cc(-c3ccccc3NC(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.55
▸ AR P10275 5/20 0.54
▸ CCNC P24863 4/20 0.50
▸ CDK8 P49336 4/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NOTUM Q6P988 1/20 0.47
▸ POLQ O75417 1/20 0.46
▸ CREBBP Q92793 3/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44
▸ USP7 Q93009 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL31378486 0.81 TRPA1 (0.59) TRPA1ARCCNCCDK8NPC1
SCHEMBL18015720 0.78 TRPA1 (0.61) TRPA1ARCCNCCDK8CREBBP
SCHEMBL30549500 0.77 TRPA1 (0.64) TRPA1ARCCNCCDK8CREBBP
Hydrochloric Acid SCHEMBL30549506 0.76 TRPA1 (0.63) TRPA1ARCCNCCDK8CREBBP
SCHEMBL16686040 0.76 NPC1 (0.63) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL4406091 0.75 SLC6A2 (0.53) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL23638931 0.75 TRPA1 (0.60) TRPA1ARCCNCCDK8NPC1
SCHEMBL1305080 0.74 PFKFB3 (0.44) MAPTPOLQ
SCHEMBL15334010 0.71 TRPA1 (0.56) TRPA1ARCCNCCDK8ALDH1A1
SCHEMBL21116103 0.71 TRPA1 (0.60) TRPA1ARCCNCCDK8CREBBP

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
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 — — EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 — — US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 — — EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 — — US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 — — 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 (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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 TRPA1 282/4885AR 2619/4885CCNC 2386/4885

“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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