SCHEMBL4738199

SCHEMBL4738199

O=C1CCN(C(=O)c2ccc(-c3ccc4ncnc(Nc5cccc(Cl)c5)c4c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.54
ERBB2 P04626 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
PRNP P04156 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CD38 P28907 1/20 0.52
MAP4K4 O95819 1/20 0.51
RAF1 P04049 2/20 0.50
BRAF P15056 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL4787465 0.82 EGFR (0.66) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL4787908 0.79 EGFR (0.82) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL4741873 0.78 RAF1 (0.80) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL4738594 0.78 EGFR (0.76) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL4741375 0.76 EGFR (0.72) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL17845976 0.75 EGFR (0.64) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL29793375 0.75 EGFR (0.64) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL30301814 0.74 CD38 (0.61) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL17858631 0.74 CD38 (0.61) EGFRERBB2CYP1A2CYP3A4CYP2D6
SCHEMBL4769173 0.73 RIPK1 (0.53) EGFRCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (3 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 EGFR 1259/4885ERBB2 2032/4885CYP1A2 1592/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885ERBB2 3512/4885CYP1A2 3697/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885ERBB2 3708/4885CYP1A2 610/4885

“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.