SCHEMBL15944951

SCHEMBL15944951

O=C(Nc1nc2ccc(Cl)cc2[nH]1)C1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 1.00
HRH4 Q9H3N8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CNR2 P34972 1/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ITK Q08881 1/20 0.46

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
SCHEMBL15944985 0.91 LPAR2 (0.84) LPAR2CYP1A2LMNAPOLBSMN1; SMN2
SCHEMBL15944964 0.88 LPAR2 (0.78) LPAR2CYP1A2LMNASMN1; SMN2NAMPT
SCHEMBL15944998 0.87 LPAR2 (0.80) LPAR2HRH4CYP1A2CNR2POLB
SCHEMBL15944950 0.87 LPAR2 (0.77) LPAR2CYP1A2LMNASMN1; SMN2NAMPT
SCHEMBL15944949 0.86 LPAR2 (0.76) LPAR2CYP1A2LMNAPOLBSMN1; SMN2
SCHEMBL15938994 0.86 LPAR2 (0.77) LPAR2CYP1A2LMNAPOLBSMN1; SMN2
SCHEMBL15944961 0.86 LPAR2 (0.77) LPAR2CYP1A2POLBSMN1; SMN2
SCHEMBL15944999 0.85 LPAR2 (0.74) LPAR2CYP1A2LMNASMN1; SMN2NAMPT
SCHEMBL15944963 0.84 LPAR2 (1.00) LPAR2CYP1A2LMNASMN1; SMN2NAMPT
SCHEMBL15944997 0.83 LPAR2 (0.72) LPAR2CYP1A2LMNASMN1; SMN2NAMPT

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-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US 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
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 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 (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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 LPAR2 2/4885HRH4 546/4885CYP1A2 2520/4885

“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.