SCHEMBL6501199

SCHEMBL6501199

CCOC(=O)c1cccc(N2CCC[C@@H]2OCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ESRRA P11474 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.40
PRKCA P17252 1/20 0.40
GSK3B P49841 1/20 0.40
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL6507004 0.88 ALOX5 (0.49) ALOX5ATMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL320425 0.79 ALOX5 (0.53) ALOX5ATMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL320426 0.79 ALOX5 (0.53) ALOX5ATMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL10311358 0.75 TP53 (0.49) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL6507009 0.73 ATM (0.52) ALOX5ATMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL6501171 0.72 ATM (0.56) ALOX5ATMSMN1; SMN2CHRNB2CHRNA4
SCHEMBL10144997 0.71 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL3097713 0.71 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL6507440 0.71 ATM (0.57) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL242325 0.71 ATM (0.57) ALOX5ATMSMN1; SMN2ALDH1A1LMNA

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ALOX5 1213/4885ATM 4449/4885SMN1; SMN2 1363/4885

“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.