SCHEMBL16710258

SCHEMBL16710258

CNC(CO)CCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.67
ENPEP Q07075 1/20 0.67
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
CYP1A2 P05177 2/20 0.43
PLA2G2C Q5R387 2/20 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
SCHEMBL26347202 0.88 ANPEP (0.83) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL6447114 0.82 ANPEP (0.67) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL24390485 0.82 ANPEP (0.45) ANPEPENPEPKDM4E
SCHEMBL21991002 0.82 ANPEP (0.45) ANPEPENPEPKDM4E
SCHEMBL26639415 0.80 ANPEP (0.64) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL8915536 0.80 ANPEP (0.64) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL25943327 0.80 ANPEP (0.70) ANPEPENPEPGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL4169104 0.80 ANPEP (0.64) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL16768817 0.80 ANPEP (0.70) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL26639409 0.80 ANPEP (0.64) ANPEPENPEPGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 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-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 ANPEP 4401/4885ENPEP 4791/4885GABRP 476/4885

“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.