SCHEMBL7689250

SCHEMBL7689250

CCC(C(=O)O)C1CCCNC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 4/20 0.71
CPB2 Q96IY4 4/20 0.71
SLC6A1 P30531 4/20 0.43
SLC6A11 P48066 3/20 0.43
SLC6A13 Q9NSD5 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Hydrochloric Acid SCHEMBL22443992 0.98 CPN1 (0.69) CPN1CPB2SLC6A1SLC6A11SLC6A13
Trifluoroacetic Acid SCHEMBL2202166 0.91 CPN1 (0.60) CPN1CPB2SLC6A1SLC6A11SLC6A13
Trifluoroacetic Acid SCHEMBL2203176 0.91 CPN1 (0.60) CPN1CPB2SLC6A1SLC6A11SLC6A13
Trifluoroacetic Acid SCHEMBL27750059 0.91 CPN1 (0.60) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL27465384 0.89 CPN1 (0.56) CPN1CPB2SLC6A1SLC6A11SLC6A13
Bromide SCHEMBL27157552 0.88 CPN1 (0.54) CPN1CPB2SLC6A1SLC6A11SLC6A13
Bromide SCHEMBL27157473 0.88 CPN1 (0.54) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL2354438 0.83 CPN1 (1.00) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL1336664 0.82 CPN1 (0.53) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL28377764 0.81 CPN1 (0.44) CPN1CPB2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed
US-4402961-A Derivatives of 1-(2-,3- or 4-quinolyl)-2- or -3-(2- or 3-piperidyl or -pyrrolidinyl) ethanone or propanone, and their utilization as antiarrhythmics, anticonvulsivants and for the treatment of anxiety PHARMINDUSTRIE (FR) 1983-09-06 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-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R CPN1 1027/4885CPB2 1138/4885SLC6A1 678/4885

“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.