SCHEMBL5636865

SCHEMBL5636865

N[C@@H]1CCCCN(C(=O)NC2CCC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.40
POLB P06746 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL5637432 0.98 HTT (0.50) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5638521 0.97 HTT (0.53) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5639089 0.78 DPP4 (0.40) TSHRSMN1; SMN2DPP4HSD17B10PKM
SCHEMBL5638105 0.77 LMNA (0.40) TSHRSMN1; SMN2DPP4PKMALDH1A1
SCHEMBL5639442 0.77 KMT2A (0.41) HTTTSHRSMN1; SMN2RAB9AKMT2A
SCHEMBL5638187 0.77 HTT (0.44) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5638198 0.77 HTT (0.44) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1114602 0.76 CYP3A4 (0.44) HTTTSHRSMN1; SMN2DPP4ALDH1A1
SCHEMBL5638082 0.75 CYP3A4 (0.42) TSHRSMN1; SMN2DPP4ALDH1A1
SCHEMBL5640627 0.75 HTT (0.45) HTTTSHRSMN1; SMN2NPC1RAB9A

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 HTT 4237/4885TSHR 667/4885SMN1; SMN2 4121/4885

“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.