SCHEMBL6161764

SCHEMBL6161764

N#Cc1cccc(C2CC2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
FFAR1 O14842 6/20 0.56
GPR88 Q9GZN0 2/20 0.47
GRIN2B Q13224 1/20 0.46
NOTUM Q6P988 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DGAT2 Q96PD7 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
HSD11B1 P28845 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7106442 1.00 HRH3 (0.57) HRH3FFAR1GPR88GRIN2BNOTUM
SCHEMBL6170154 1.00 HRH3 (0.57) HRH3FFAR1GPR88GRIN2BNOTUM
SCHEMBL6906686 0.84 FFAR1 (0.56) HRH3FFAR1GPR88HDAC4ALDH1A1
SCHEMBL6906683 0.84 FFAR1 (0.56) HRH3FFAR1GPR88HDAC4ALDH1A1
SCHEMBL6839707 0.84 HRH3 (0.54) HRH3NOTUMDRD2DRD3ABCC9
SCHEMBL7022189 0.84 HRH3 (0.54) HRH3NOTUMDRD2DRD3ABCC9
SCHEMBL6839704 0.84 HRH3 (0.54) HRH3NOTUMDRD2DRD3ABCC9
SCHEMBL6839703 0.84 HRH3 (0.54) HRH3NOTUMDRD2DRD3ABCC9
SCHEMBL2800883 0.82 HRH3 (0.53) HRH3FFAR1GPR88GRIN2BKDM1A
SCHEMBL2800881 0.82 HRH3 (0.53) HRH3FFAR1GPR88GRIN2BKDM1A

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
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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 (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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 HRH3 685/4885FFAR1 85/4885GPR88 110/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI HRH3 1037/4885FFAR1 1590/4885GPR88 3357/4885

“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.