SCHEMBL3701027

SCHEMBL3701027

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.53
CASP3 P42574 6/20 0.53
CASP9 P55211 6/20 0.53
CYCS P99999 6/20 0.53
TACR2 P21452 5/20 0.45
CCKBR P32239 2/20 0.40
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR4 P51679 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL3697588 0.92 APAF1 (0.48) APAF1CASP3CASP9CYCSTACR2
SCHEMBL3695332 0.91 APAF1 (0.58) APAF1CASP3CASP9CYCSCCR4
SCHEMBL3700996 0.89 APAF1 (0.56) APAF1CASP3CASP9CYCSCCKBR
SCHEMBL5956313 0.88 APAF1 (0.54) APAF1CASP3CASP9CYCSCCR4
SCHEMBL3693158 0.87 APAF1 (0.54) APAF1CASP3CASP9CYCSCCKBR
SCHEMBL3691826 0.86 APAF1 (0.60) APAF1CASP3CASP9CYCSCCKBR
SCHEMBL3705168 0.86 APAF1 (0.53) APAF1CASP3CASP9CYCSCYP1A2
SCHEMBL3697423 0.86 APAF1 (0.52) APAF1CASP3CASP9CYCSCYP1A2
SCHEMBL5956320 0.85 APAF1 (0.51) APAF1CASP3CASP9CYCSCYP1A2
SCHEMBL3696383 0.84 APAF1 (0.51) APAF1CASP3CASP9CYCSCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 APAF1 1/4885CASP3 13/4885CASP9 15/4885

“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.