SCHEMBL5637702

SCHEMBL5637702

CC1CCCC(NC=O)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.44
ADH7 P40394 2/20 0.44
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS1R3 Q7RTX0 7/20 0.40
TAS1R1 Q7RTX1 7/20 0.40
TAS1R2 Q8TE23 6/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ADH4 P08319 1/20 0.38
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1767331 0.86
SCHEMBL1766842 0.82 ADH1B (0.48) ADH1BADH1AADH1CADH7SMN1; SMN2
SCHEMBL19444209 0.82 ADH1B (0.48) ADH1BADH1AADH1CADH7SMN1; SMN2
SCHEMBL16204593 0.82 ADH1B (0.48) ADH1BADH1AADH1CADH7SMN1; SMN2
SCHEMBL14539406 0.80 ADH1B (0.50) ADH1BADH1AADH1CADH7SMN1; SMN2
SCHEMBL12327258 0.80 ADH1B (0.50) ADH1BADH1AADH1CADH7SMN1; SMN2
SCHEMBL798497 0.78 ADH1A (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8373154 0.77 JAK2 (0.42) JAK2MITFSMN1; SMN2TAS1R3TAS1R1
SCHEMBL798471 0.73 ADH1A (0.60) ADH1BADH1AADH1CADH7ALDH1A1
SCHEMBL15314039 0.73 ADH1A (0.60) ADH1BADH1AADH1CADH7ALDH1A1

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
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 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 (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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ADH1B 4462/4885ADH1A 2018/4885ADH1C 989/4885
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 ADH1B 1924/4885ADH1A 910/4885ADH1C 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.