SCHEMBL4787329

SCHEMBL4787329

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
TACR1 P25103 3/20 0.35
CACNA1S Q13698 1/20 0.34
DHFR P00374 2/20 0.34
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 3/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL4786927 0.90 DHFR (0.44) TACR1CACNA1SDHFRKDM4EDPP4
SCHEMBL4785890 0.86 OPRM1 (0.38) CACNA1SDPP4HTR2AHTR2CHTR2B
SCHEMBL4787414 0.85 DPP4 (0.43) KDM1AMAOAMAOBPSEN1PSEN2
SCHEMBL4934127 0.82 KDM1A (0.37) KDM1AMAOAMAOBPSEN1PSEN2
SCHEMBL4784968 0.81 HTR2A (0.38) KDM1AMAOAMAOBCACNA1SDHFR
SCHEMBL4787204 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3
SCHEMBL4785505 0.78 HTR2A (0.37) KDM1ADPP4HTR2AHTR2CHTR2B
SCHEMBL4787375 0.78 HTR2A (0.37) KDM1ADPP4HTR2AHTR2CHTR2B
SCHEMBL4783845 0.78 HTR2A (0.36) KDM1AKDM4EHTR2AHTR2CHTR2B
SCHEMBL4783552 0.77 SLC6A2 (0.41) KDM1AHTR2AHTR2CHTR2BHRH3

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 3 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
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

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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 KDM1A 4009/4885MAOA 2276/4885MAOB 2494/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG KDM1A 3675/4885MAOA 1004/4885MAOB 522/4885

“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.