SCHEMBL3585668

SCHEMBL3585668

CC(C)(C)c1ccc(CNCCc2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MC5R P33032 5/20 0.53
MC4R P32245 3/20 0.53
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
MC3R P41968 3/20 0.50
MC1R Q01726 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.44
ESRRG P62508 1/20 0.43
BCHE P06276 2/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL22495340 0.84 GAA (0.63) CA1CA2MC5RMC4RCA12
SCHEMBL3240039 0.83 GAA (0.67) CA1CA2CA12CA4KMT2A
SCHEMBL20902780 0.82 CA1 (0.71) CA1CA2CA12KMT2AGAA
SCHEMBL3232261 0.79 CA1 (0.53) CA1CA2KMT2AGAAKDM4E
SCHEMBL5177357 0.79 BCHE (0.65) CA1CA2KMT2AGAAKDM4E
SCHEMBL3243773 0.78 TAAR1 (0.54) CA1CA2KMT2AGAAKDM4E
SCHEMBL3571060 0.78 HDAC1 (0.62) CA1CA2GAAMAPTCYP1A2
SCHEMBL5178076 0.78 TAAR1 (0.54) CA1CA2KMT2AKDM4EMEN1
SCHEMBL5177175 0.78 CA1 (0.52) CA1CA2KMT2AGAAKDM4E
SCHEMBL3240005 0.78 BCHE (0.70) KMT2ABCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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 (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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC CA1 1280/4885CA2 411/4885MC5R 279/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP CA1 4644/4885CA2 4559/4885MC5R 1889/4885

“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.