SCHEMBL3554635

SCHEMBL3554635

ClC1COCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.34
NOTUM Q6P988 1/20 0.34
HTR2C P28335 3/20 0.32
HRH1 P35367 3/20 0.32
CYP11B2 P19099 1/20 0.32
RET P07949 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ANPEP P15144 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3175551 0.75 HTR2A (0.43) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL30386978 0.75 MAOA (0.39) HTR2ANOTUMHRH1GRIN1GRIN2B
SCHEMBL3167798 0.75 MAOA (0.39) HTR2ANOTUMHRH1GRIN1GRIN2B
SCHEMBL23505819 0.75 HTR2A (0.34) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL19829938 0.75 HTR2A (0.43) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL25180633 0.75 HTR2A (0.34) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL19829945 0.75 HTR2A (0.43) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL15145778 0.75 HTR2A (0.43) HTR2ANOTUMHTR2CSLC6A2SLC6A4
SCHEMBL30387994 0.75 HTR2A (0.34) HTR2ANOTUMHTR2CHRH1RET
SCHEMBL6448475 0.75 HTR2A (0.43) HTR2ANOTUMHTR2CSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
CN-106999479-B Heteroaryl compounds useful as inhibitors of SUMO activating enzyme 米伦纽姆医药公司 2021-07-16 CN disclosed
US-7718809-B2 Chromane substituted benzimidazole derivatives as acid pump antagonists RAQUALIA PHARMA INC. (JP) 2010-05-18 US disclosed
US-20090291977-A1 Chromane Derivatives Useful As Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2009-11-26 US disclosed
EP-1893197-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS RAQUALIA PHARMA INC (JP) 2009-09-09 EP disclosed
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2008-09-04 US disclosed
EP-1838309-B1 CHROMANE DERIVATIVES USEFUL AS ACID PUMP ANTAGONISTS PFIZER (US) 2008-08-20 EP disclosed
EP-1893197-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
EP-1838309-A1 CHROMANE DERIVATIVES USEFUL AS ACID PUMP ANTAGONISTS Pfizer, Inc. (US) 2007-10-03 EP disclosed
WO-2006134460-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
WO-2006064339-A1 CHROMANE DERIVATIVES USEFUL AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-06-22 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-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 HTR2A 793/4885NOTUM 2551/4885HTR2C 567/4885
US-20090291977-A1 Chromane Derivatives Useful As Acid Pump Antagonists HRH2, HRH1, CHRND HTR2A 798/4885NOTUM 1896/4885HTR2C 998/4885

“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.