SCHEMBL19927409

SCHEMBL19927409

Cc1cc(NC(=O)C(CCN2CCC(O)CC2)NC(=O)C2Cc3ccccc3CN2C(=O)O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CFTR P13569 3/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL19927406 1.00 CCR5 (0.40) CCR5TP53CFTRFNTAFNTB
SCHEMBL19927407 1.00 CCR5 (0.40) CCR5TP53CFTRFNTAFNTB
SCHEMBL19927209 0.91 CXCR3 (0.44) TP53CFTRFNTAFNTBTACR2
SCHEMBL26440006 0.91 CXCR3 (0.44) TP53CFTRFNTAFNTBTACR2
SCHEMBL19927211 0.91 CXCR3 (0.44) TP53CFTRFNTAFNTBTACR2
SCHEMBL19927213 0.91 CXCR3 (0.44) TP53CFTRFNTAFNTBTACR2
SCHEMBL19927330 0.88 TP53 (0.44) TP53CFTRFNTAFNTBMAPT
SCHEMBL19927324 0.88 TP53 (0.44) TP53CFTRFNTAFNTBMAPT
SCHEMBL19927327 0.88 TP53 (0.44) TP53CFTRFNTAFNTBMAPT
SCHEMBL19927350 0.87 CFTR (0.41) TP53CFTRFNTAFNTBMAPT

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-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 — — US disclosed
EP-3507275-A1 CXCR3 RECEPTOR AGONISTS Celgene International II Sarl (CH) 2019-07-10 — — EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 — — 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 CCR5 6/4885TP53 1874/4885CFTR 102/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CCR5 6/4885TP53 1874/4885CFTR 102/4885

“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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