SCHEMBL5637911

SCHEMBL5637911

COC(=O)C1CCCCCC1NC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ ADH1B P00325 3/20 0.41
▸ ADH1C P00326 3/20 0.41
▸ ADH1A P07327 3/20 0.41
▸ ADH4 P08319 1/20 0.41
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ADH7 P40394 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33

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
SCHEMBL5635945 0.98 TAS1R3 (0.41) CNR2ADH1BADH1CADH1AADH4
SCHEMBL20054268 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH4TAS1R3
SCHEMBL28527891 0.78 SLC6A2 (0.50) CNR2SLC6A2SLC6A4SMN1; SMN2CHRM2
SCHEMBL8018292 0.77 ADH1B (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7635004 0.77 CHRM2 (0.37) ADH1BADH1ACHRM2CHRM4CHRM3
SCHEMBL5639335 0.77 ADH1B (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5639285 0.76 GRM4 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14539601 0.76 PSEN1 (0.56) CNR2SLC6A2SLC6A4TAS1R3TAS1R1
SCHEMBL13595131 0.76 CHRM2 (0.48) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL272354 0.76 CHRM2 (0.48) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 CNR2 37/4885ADH1B 1924/4885ADH1C 764/4885

“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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