SCHEMBL2065888

SCHEMBL2065888

CCn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCBr

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 19/20 0.62
▸ KCNH2 Q12809 3/20 0.60
▸ HTR2C P28335 11/20 0.53
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1167093 0.89 HTR2A (0.76) HTR2AKCNH2HTR2C
SCHEMBL18940866 0.84 HTR2A (0.62) HTR2AKCNH2HTR2C
SCHEMBL884094 0.81 HTR2A (0.79) HTR2AKCNH2HTR2C
SCHEMBL884361 0.80 HTR2A (0.79) HTR2AKCNH2HTR2C
SCHEMBL21303286 0.80 HTR2A (0.85) HTR2AKCNH2HTR2C
SCHEMBL1165520 0.78 HTR2A (0.84) HTR2AKCNH2HTR2C
SCHEMBL1166625 0.78 HTR2A (0.88) HTR2AKCNH2HTR2C
SCHEMBL883962 0.78 HTR2A (0.80) HTR2AKCNH2HTR2C
SCHEMBL1166863 0.77 HTR2A (0.86) HTR2AKCNH2HTR2C
SCHEMBL1166821 0.77 HTR2A (0.82) HTR2AKCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45337-E1 Ethers, secondary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-8148418-B2 Ethers, secondary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2012-04-03 — — US disclosed
US-20090186895-A1 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-07-23 — — 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-20090186895-A1 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR2A, HTR5A, HTR2C HTR2A 1/4885KCNH2 1018/4885HTR2C 3/4885

“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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