SCHEMBL17270169

SCHEMBL17270169

CC(C)(C)c1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)s1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 17/20 0.74
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL17270330 0.86 ACKR3 (0.72) ACKR3CDK5CDK5R1RAB9A
SCHEMBL17270181 0.84 ACKR3 (0.72) ACKR3CDK5CDK5R1RAB9AGAA
SCHEMBL7600247 0.76 KDM4E (0.69) ACKR3CDK5CDK5R1GAA
SCHEMBL10702311 0.75 KDM4E (0.67) ACKR3CDK5CDK5R1GAA
SCHEMBL17270275 0.73 ACKR3 (0.71) ACKR3CDK5CDK5R1GAA
SCHEMBL17270146 0.73 ACKR3 (0.72) ACKR3GAA
SCHEMBL10515943 0.72 CDK5 (0.56) ACKR3CDK5CDK5R1
SCHEMBL17270326 0.72 ACKR3 (0.74) ACKR3CDK5CDK5R1GAA
SCHEMBL25369081 0.72 DHX9 (0.48) ACKR3CDK5CDK5R1RAB9AGAA
SCHEMBL30543897 0.72 DHX9 (0.48) ACKR3CDK5CDK5R1RAB9AGAA

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-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 — — US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 — — 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-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 ACKR3 9/4885CDK5 998/4885CDK5R1 415/4885

“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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