SCHEMBL6043965

SCHEMBL6043965

CC(C)CC(C)n1nnc2cc(C(=O)O)ccc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 19/20 0.78
HPGD P15428 1/20 0.72
HCAR2 Q8TDS4 1/20 0.72

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
SCHEMBL6044065 0.88 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6695985 0.85 HCAR3 (0.81) HCAR3HPGDHCAR2
SCHEMBL839123 0.84 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6043960 0.84 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6043783 0.82 HCAR3 (0.78) HCAR3HPGDHCAR2
SCHEMBL22622090 0.82 HCAR3 (0.78) HCAR3HPGDHCAR2
SCHEMBL6044252 0.81 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6043684 0.79 HCAR3 (0.77) HCAR3HPGDHCAR2
SCHEMBL23084792 0.78 HCAR3 (0.72) HCAR3HPGDHCAR2
SCHEMBL6688639 0.77 HCAR3 (0.71) HCAR3HPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 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 (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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 HCAR3 123/4885HPGD 2228/4885HCAR2 160/4885
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885HPGD 382/4885HCAR2 22/4885

“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.