SCHEMBL5436725

SCHEMBL5436725

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCNCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCHR1 Q99705 1/20 0.38
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
TACR1 P25103 2/20 0.37
NPC1L1 Q9UHC9 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5452200 0.90 EGFR (0.43) CYP3A4CYP2C19PRKCAMMP12TACR1
SCHEMBL5439087 0.87 TACR1 (0.45) CYP3A4CYP2C19PRKCAMMP12TACR1
SCHEMBL5446231 0.87 KMT2A (0.42) CYP3A4CYP2C19MCHR1PRKCAMMP12
SCHEMBL172187 0.86 PRKCA (0.43) CYP3A4CYP2C19MCHR1PRKCAMMP12
Hydrochloric Acid SCHEMBL1071086 0.85 PRKCA (0.42) CYP3A4CYP2C19MCHR1PRKCAMMP12
SCHEMBL5438993 0.84 TACR1 (0.40) CYP3A4CYP2C19PRKCAMMP12TACR1
SCHEMBL5433925 0.82 PRKCA (0.44) CYP3A4CYP2C19PRKCAMMP12NR1H4
SCHEMBL5198409 0.81 GRIN2B (0.43) CYP3A4CYP2C19PRKCAMMP12
SCHEMBL2909117 0.81 PRKCA (0.44) PRKCAMMP12
SCHEMBL5439046 0.81 PRKCA (0.44) CYP3A4CYP2C19PRKCAMMP12

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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT CYP3A4 116/4885CYP2C19 984/4885MCHR1 1422/4885

“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.