SCHEMBL13889166

SCHEMBL13889166

C[C@@H]1C[C@H]1c1ccc(Br)cc1F

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 13/20 0.68
▸ KDM1B Q8NB78 5/20 0.68
▸ KCNH2 Q12809 4/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DGAT1 O75907 1/20 0.35

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
SCHEMBL27457319 0.85 KDM1A (0.59) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL23183465 0.80 HTR2C (0.56) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL15490659 0.80 HTR2C (0.56) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL2358635 0.75 KDM1A (0.60) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL2358633 0.75 KDM1A (0.60) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL19444117 0.74 CHRNB2 (0.45) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL27457321 0.74 KDM1A (0.74) KDM1AKDM1BKCNH2
SCHEMBL27456591 0.74 KDM1A (0.74) KDM1AKDM1BKCNH2
SCHEMBL4716381 0.74 KDM1A (0.58) KDM1AKDM1BDGAT1
SCHEMBL5264685 0.74 KDM1A (0.58) KDM1AKDM1BDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same MERCK & CO., INC. (US) 2009-04-23 — — 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-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same PDE12, PDE4A, PDE4B KDM1A 694/4885KDM1B 1532/4885KCNH2 1014/4885

“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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