SCHEMBL6044245

SCHEMBL6044245

O=C(O)c1ccc2c(nnn2C2CC2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.51
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.33
HSD11B1 P28845 1/20 0.33
GALK1 P51570 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6044412 0.94 HCAR3 (0.53) HCAR3GAARXFP1ALDH1A1TSHR
SCHEMBL6044720 0.83 HCAR3 (0.51) HCAR3GAAALDH1A1TSHRLMNA
SCHEMBL6044728 0.78 HCAR3 (0.53) HCAR3RXFP1ALDH1A1TSHRUSP2
SCHEMBL2616547 0.73 HCAR3 (0.53) HCAR3RXFP1ALDH1A1TSHRUSP2
SCHEMBL6043674 0.71 HCAR3 (0.58) HCAR3GAARXFP1ALDH1A1TSHR
SCHEMBL6044060 0.70 HCAR3 (0.33) HCAR3TSHR
SCHEMBL6044420 0.69 KDM4C (0.36) HCAR3GAATSHRMEN1KMT2A
SCHEMBL6043957 0.68 HCAR3 (1.00) HCAR3GAARXFP1GALK1TP53
SCHEMBL21714150 0.67 HCAR3 (0.46) HCAR3GAARXFP1ALDH1A1TSHR
SCHEMBL304484 0.67 ALDH1A1 (0.41) HCAR3ALDH1A1TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 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-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885GAA 70/4885RXFP1 329/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 HCAR3 26/4885GAA 30/4885RXFP1 90/4885

“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.