SCHEMBL16806038

SCHEMBL16806038

Cc1ccc(-c2ncccn2)c(C)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
NPC1 O15118 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
BRD4 O60885 1/20 0.33
CYP2A6 P11509 2/20 0.32
LMNA P02545 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL11996643 0.86 NOS3 (0.34) HCRTR1HCRTR2NPC1NOS3NOS1
SCHEMBL10263731 0.79 KDM4E (0.45) NPC1HSP90AA1L3MBTL1CYP1A2ALDH1A1
SCHEMBL15057801 0.75 HCRTR1 (0.41) HCRTR1HCRTR2NPC1MRGPRX4L3MBTL1
SCHEMBL14886178 0.73 HCRTR1 (0.38) HCRTR1HCRTR2NPC1HSP90AA1L3MBTL1
SCHEMBL16806048 0.72 CYP1A2 (0.42) NPC1NOS3NOS1NOS2HSP90AA1
SCHEMBL4402368 0.72 CCR1 (0.33) GRIN1GRIN2BNOS3NOS2CCR1
SCHEMBL17991851 0.72 PARP10 (0.42) LMNA
SCHEMBL14886185 0.72 ALDH1A1 (0.42) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C19
SCHEMBL14886183 0.72 NISCH (0.49) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C19
SCHEMBL16809199 0.72 CYP2A6 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 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 (4 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885GRIN1 116/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885GRIN1 125/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885GRIN1 125/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885GRIN1 125/4885

“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.