SCHEMBL5065135

SCHEMBL5065135

[c]1nnnc2cccc(-c3cccnn3)c12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
HTR2A P28223 1/20 0.30
DHODH Q02127 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
SCHEMBL6050861 0.66
SCHEMBL26224303 0.65 GABRG2 (0.39) HTR2CDHODH
SCHEMBL3704382 0.65 HTR2C (0.38) HTR2CHTR2ADHODH
SCHEMBL30792004 0.64 GOT1 (0.46) HTR2CHTR2ADHODH
SCHEMBL1456807 0.64 GOT1 (0.46) HTR2CHTR2ADHODH
SCHEMBL29442588 0.64 GOT1 (0.46) HTR2CHTR2ADHODH
Hydrochloric Acid SCHEMBL8425421 0.64 HTR2C (0.37) HTR2CHTR2ADHODH
SCHEMBL20472405 0.62 CNR2 (0.47)
Hydrochloric Acid SCHEMBL10877717 0.62 HTR2C (0.36) HTR2CHTR2ADHODH
SCHEMBL3644361 0.62 HTR2C (0.64) HTR2CHTR2ADHODH

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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
EP-1853579-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 EP disclosed
WO-2006085113-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists GPR84, GPR88, HCAR1 HTR2C 92/4885HTR2A 34/4885DHODH 3139/4885

“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.