SCHEMBL2358635

SCHEMBL2358635

O=CC1CC1c1ccc(Br)cc1F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 11/20 0.60
▸ KDM1B Q8NB78 4/20 0.60
▸ DGAT1 O75907 1/20 0.35
▸ KCNH2 Q12809 4/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13889166 0.75 KDM1A (0.68) KDM1AKDM1BDGAT1KCNH2HTR2A
SCHEMBL2358633 0.73 KDM1A (0.60) KDM1AKDM1BDGAT1KCNH2HTR2A
SCHEMBL25982894 0.72 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BALDH1A1
SCHEMBL446822 0.72 KDM1A (0.58) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL446823 0.72 KDM1A (0.58) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL4716381 0.72 KDM1A (0.58) KDM1AKDM1BDGAT1ALDH1A1
SCHEMBL5264685 0.72 KDM1A (0.58) KDM1AKDM1BDGAT1ALDH1A1
SCHEMBL2827719 0.71 KDM1A (0.52) KDM1AKDM1BKCNH2HTR2CHTR2B
SCHEMBL2854689 0.71 KDM1A (0.52) KDM1AKDM1BKCNH2HTR2CHTR2B
SCHEMBL2324658 0.71 KDM1A (0.52) KDM1AKDM1BKCNH2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 — — WO disclosed
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2008-03-20 — — 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 (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-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same PDE4A, PDE12, PDE4B KDM1A 613/4885KDM1B 1290/4885DGAT1 1684/4885

“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.

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