SCHEMBL2645121

SCHEMBL2645121

CCCC(=O)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.50
DPP7 Q9UHL4 2/20 0.44
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
TLR2 O60603 2/20 0.39
DPP4 P27487 4/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
SCN4A P35499 1/20 0.37
FAP Q12884 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30973638 1.00 PRCP (0.50) PRCPDPP7NOS2NOS3NOS1
SCHEMBL15808359 0.94 PRCP (0.45) PRCPDPP7NOS2NOS3NOS1
SCHEMBL30409676 0.85 PRCP (0.60) PRCPDPP7TLR2
SCHEMBL15970512 0.85 PRCP (0.60) PRCPDPP7TLR2
SCHEMBL878969 0.83
SCHEMBL14296418 0.83
SCHEMBL805298 0.83
SCHEMBL27731601 0.83 PRCP (0.50) PRCPDPP7TLR2
SCHEMBL1969954 0.80 NOS2 (0.45) PRCPDPP7NOS2NOS3NOS1
SCHEMBL4685705 0.80 NOS2 (0.41) PRCPDPP7NOS2NOS3NOS1

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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 PRCP 3117/4885DPP7 679/4885NOS2 3277/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 PRCP 3193/4885DPP7 271/4885NOS2 1012/4885

“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.