SCHEMBL3553150

SCHEMBL3553150

Fc1cccc2c1C(Cl)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.45
OPRL1 P41146 2/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PKM P14618 3/20 0.33
PKLR P30613 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.32
ABCB1 P08183 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 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
SCHEMBL30216657 0.82 MAP3K14 (0.45) MAP3K14OPRL1ITGB2ICAM1ITGAL
SCHEMBL1266237 0.82 MAP3K14 (0.45) MAP3K14OPRL1ITGB2ICAM1ITGAL
SCHEMBL26962672 0.82 MAP3K14 (0.45) MAP3K14OPRL1ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL26962795 0.81 MAP3K14 (0.44) MAP3K14OPRL1ITGB2ICAM1ITGAL
SCHEMBL3267497 0.80 MAP3K14 (0.64) MAP3K14OPRL1ITGB2ICAM1ITGAL
SCHEMBL3561436 0.79 MAP3K14 (0.67) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL24727111 0.78 MAP3K14 (0.42) MAP3K14OPRL1JAK2JAK3SMN1; SMN2
SCHEMBL3562075 0.75 ADRA2A (0.32) MAP3K14ADRA2A
SCHEMBL29960701 0.75 MAP3K14 (0.45) MAP3K14ABCB1HTR2CTP53
SCHEMBL27736666 0.75 MAP3K14 (0.41) MAP3K14OPRL1ITGB2ICAM1ITGAL

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
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
EP-1996589-A1 CHROMANE DERIVATIVES RaQualia Pharma Inc (JP) 2008-12-03 EP 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-2007107827-A1 CHROMANE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2007-09-27 WO disclosed
US-20070219237-A1 Chromane Derivatives PFIZER INC 2007-09-20 US disclosed
WO-2006134460-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO 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-20070219237-A1 Chromane Derivatives HRH2, HRH1, CHRM1 MAP3K14 2992/4885OPRL1 106/4885ITGB2 3033/4885
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 MAP3K14 2415/4885OPRL1 108/4885ITGB2 2533/4885

“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.