SCHEMBL18461518

SCHEMBL18461518

Cc1nc(-c2ccc(F)c3ccccc23)cc(C(C)C)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ GPR65 Q8IYL9 1/20 0.72
▸ MAPK14 Q16539 1/20 0.34
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ PDE2A O00408 3/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ GRM2 Q14416 2/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ HPRT1 P00492 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL8382821 0.84 HTR1B (0.71) HTR1BHTR2BGPR65ALOX5APFEN1
SCHEMBL375979 0.84 HTR1B (1.00) HTR1BHTR2BGPR65MAPK14ALOX5AP
Hydrochloric Acid SCHEMBL5746097 0.83 HTR1B (0.97) HTR1BHTR2BGPR65MAPK14ALOX5AP
SCHEMBL8469545 0.83 HTR1B (0.97) HTR1BHTR2BGPR65MAPK14ALOX5AP
SCHEMBL5745878 0.82 HTR1B (0.67) HTR1BHTR2BGPR65FEN1ADORA3
SCHEMBL5750446 0.82 HTR1B (0.67) HTR1BHTR2BGPR65MAPK14ALOX5AP
SCHEMBL5748111 0.82 HTR1B (0.67) HTR1BHTR2BGPR65ALOX5APFEN1
SCHEMBL5775297 0.82 HTR1B (0.67) HTR1BHTR2BGPR65ALOX5APFEN1
Hydrochloric Acid SCHEMBL5750394 0.80 HTR1B (0.68) HTR1BHTR2BGPR65ALOX5APFEN1
SCHEMBL5748949 0.80 HTR1B (0.64) HTR1BHTR2BGPR65ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884836-B2 2-substituted-5-hydroxy-4H-chromen-4-ones as novel ligands for the serotonin receptor 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-02-06 — — US disclosed
US-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY 2017-02-02 — — 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-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) HTR2B, HTR3B, HTR4 HTR1B 4/4885HTR2B 1/4885GPR65 180/4885

“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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