SCHEMBL3787633

SCHEMBL3787633

CC(=O)N1CCc2ccc(Cl)c(F)c2C(C)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.49
▸ HTR2C P28335 6/20 0.49
▸ HTR2B P41595 4/20 0.49
▸ NOTUM Q6P988 4/20 0.42
▸ MET P08581 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RORC P51449 1/20 0.35
▸ OPRL1 P41146 1/20 0.35

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
SCHEMBL3787628 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BNOTUMMET
SCHEMBL3801328 0.88 NOTUM (0.51) HTR2AHTR2CHTR2BNOTUMMET
SCHEMBL3801331 0.88 NOTUM (0.51) HTR2AHTR2CHTR2BNOTUMMET
SCHEMBL31121198 0.87 HTR2A (0.47) HTR2AHTR2CHTR2BNOTUMUSP2
SCHEMBL3283015 0.87 HTR2A (0.47) HTR2AHTR2CHTR2BNOTUMUSP2
SCHEMBL3285518 0.87 HTR2A (0.47) HTR2AHTR2CHTR2BNOTUMUSP2
SCHEMBL3290318 0.79 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL3285489 0.79 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL3290141 0.79 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL23745298 0.76 ESR1 (0.48) HTR2AHTR2CHTR2BNOTUM

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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 — — 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 (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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 HTR2A 18/4885HTR2C 37/4885HTR2B 51/4885

“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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