SCHEMBL5640321

SCHEMBL5640321

N[C@@H]1CCCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 3/20 0.45
▸ FPR2 P25090 3/20 0.45
▸ NAMPT P43490 2/20 0.45
▸ ENPP3 O14638 4/20 0.45
▸ ENPP1 P22413 3/20 0.45
▸ ENPP2 Q13822 3/20 0.45
▸ TRPV1 Q8NER1 2/20 0.45
▸ EPHX2 P34913 4/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ KCNH2 Q12809 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
SCHEMBL5638974 0.86 KMT2A (0.54) ENPP3ENPP1ENPP2MAPT
SCHEMBL5639084 0.84 RAB9A (0.54) MAPT
SCHEMBL5638116 0.83 SMN1; SMN2 (0.50) MAPT
SCHEMBL5639457 0.82 FPR2 (0.53) FPR1FPR2TRPV1
SCHEMBL5638456 0.77 NPC1 (0.50) MAPT
SCHEMBL28884238 0.77 NAMPT (0.51) FPR1FPR2NAMPTTRPV1EPHX2
SCHEMBL15336337 0.76 TRPV1 (0.54) NAMPTTRPV1MAPT
SCHEMBL14306236 0.74 MAPT (0.69) NAMPTTRPV1EPHX2MAPTCNR1
SCHEMBL5638914 0.74 KMT2A (0.47) —
SCHEMBL32660750 0.74 TRPV1 (0.62) NAMPTTRPV1EPHX2MAPTCNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 — — EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 — — 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 (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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 FPR1 107/4885FPR2 180/4885NAMPT 2154/4885

“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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