SCHEMBL3556913

SCHEMBL3556913

OC1CCOc2cc(F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.65
ADRA2A P08913 1/20 0.50
KDM4C Q9H3R0 3/20 0.42
NR3C2 P08235 1/20 0.41
HTR1A P08908 7/20 0.38
TRPV1 Q8NER1 2/20 0.38
FABP6 P51161 1/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL30812538 1.00 MAP3K14 (0.65) MAP3K14ADRA2AKDM4CNR3C2HTR1A
SCHEMBL22143947 1.00 MAP3K14 (0.65) MAP3K14ADRA2AKDM4CNR3C2HTR1A
SCHEMBL1477701 0.86 MAP3K14 (0.51) MAP3K14ADRA2AHTR1ATRPV1FABP6
SCHEMBL22143742 0.86 MAP3K14 (0.51) MAP3K14ADRA2AHTR1ATRPV1FABP6
SCHEMBL12749284 0.86 MAP3K14 (0.51) MAP3K14ADRA2AHTR1ATRPV1FABP6
SCHEMBL1111009 0.80 MAP3K14 (0.67) MAP3K14
SCHEMBL14183091 0.80 MAP3K14 (0.67) MAP3K14
SCHEMBL2953873 0.79 HTR6 (0.50) MAP3K14
SCHEMBL24593571 0.79 ADRA2A (0.50) MAP3K14ADRA2AKDM4CHTR1ATRPV1
SCHEMBL3555891 0.79 ADRA2A (0.50) MAP3K14ADRA2AKDM4CHTR1ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 WO disclosed
US-7718809-B2 Chromane substituted benzimidazole derivatives as acid pump antagonists RAQUALIA PHARMA INC. (JP) 2010-05-18 US disclosed
EP-1893197-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS RAQUALIA PHARMA INC (JP) 2009-09-09 EP disclosed
WO-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2008-09-04 US disclosed
EP-1893197-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
WO-2006134460-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 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-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 MAP3K14 2415/4885ADRA2A 310/4885KDM4C 4738/4885

“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.