SCHEMBL3875287

SCHEMBL3875287

Fc1cc(CBr)c(CBr)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.38
▸ HTR2C P28335 12/20 0.38
▸ HTR2A P28223 11/20 0.38
▸ HTR2B P41595 10/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL488821 0.88 GPR84 (0.37) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL30474348 0.88 KDM1A (0.39) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL377235 0.88 KDM1A (0.39) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL31266184 0.88 GPR84 (0.37) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL693457 0.88 GPR84 (0.37) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL11027502 0.86 GPR84 (0.36) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL3363763 0.84 KDM1A (0.38) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL3365678 0.84 GPR84 (0.35) GPR84KDM1AKDM1BALDH1A1TDP1
SCHEMBL31112139 0.82 HTR2A (0.36) GPR84HTR2CHTR2AHTR2BKDM1A
SCHEMBL3311060 0.81 AHR (0.35) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 — — EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 — — EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 — — WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 — — 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 GPR84 2324/4885HTR2C 235/4885HTR2A 452/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 GPR84 2324/4885HTR2C 235/4885HTR2A 452/4885

“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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