SCHEMBL4786927

SCHEMBL4786927

COc1ccc(CN(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.44
TACR1 P25103 3/20 0.43
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.37
DPP4 P27487 2/20 0.36
LMNA P02545 2/20 0.35
CACNA1S Q13698 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4787329 0.90 KDM1A (0.37) DHFRTACR1KDM4EDPP4CACNA1S
SCHEMBL4785890 0.87 OPRM1 (0.38) MEN1KMT2ADPP4CACNA1SHTR2A
SCHEMBL4787414 0.86 DPP4 (0.43) DHFRMEN1KMT2ADPP4CACNA1S
SCHEMBL4784968 0.82 HTR2A (0.38) DHFRDPP4CACNA1SHTR2ASLC6A4
SCHEMBL4934127 0.81 KDM1A (0.37) ALDH1A1HTTKDM4EDPP4
SCHEMBL4787375 0.79 HTR2A (0.37) DPP4HTR2ASLC6A4HTR2CHTR2B
SCHEMBL4785505 0.79 HTR2A (0.37) DPP4HTR2ASLC6A4HTR2CHTR2B
SCHEMBL4783845 0.78 HTR2A (0.36) ALDH1A1KDM4EHTR2ASLC6A4HTR2C
SCHEMBL4783552 0.78 SLC6A2 (0.41) HTR2ASLC6A4HTR2CHTR2BHRH3
SCHEMBL4787204 0.78 HTR2A (0.36) ALDH1A1MEN1KMT2AHTR2ASLC6A4

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER 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 DHFR 1830/4885TACR1 586/4885ALDH1A1 752/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL DHFR 270/4885TACR1 4530/4885ALDH1A1 978/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG DHFR 945/4885TACR1 1168/4885ALDH1A1 1249/4885

“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.