SCHEMBL7682329

SCHEMBL7682329

O=C(O)CCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.57
FNTB P49356 2/20 0.57
CYP3A4 P08684 2/20 0.48
HTT P42858 1/20 0.48
DRD3 P35462 5/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CHRM2 P08172 3/20 0.45
ADRA2A P08913 3/20 0.45
CHRM1 P11229 3/20 0.45
DRD1 P21728 3/20 0.45
SETD7 Q8WTS6 2/20 0.45
ADRA1A P35348 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45

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 SCHEMBL7679240 0.99 FNTA (0.56) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL7676763 0.93 FNTA (0.55) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844279 0.92 FNTA (0.54) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844228 0.92 FNTA (0.54) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844251 0.91 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844374 0.91 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844244 0.91 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL9844384 0.91 FNTA (0.53) FNTAFNTBCYP3A4HTTDRD3
Acetic Acid SCHEMBL7681832 0.90 FNTA (0.52) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9844527 0.90 FNTA (0.52) FNTAFNTBCYP3A4HTTDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US claimed
US-6391890-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES NOVO NORDISK A/S (DK) 2002-05-21 US claimed
EP-0991633-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP claimed
WO-1999000376-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO claimed
EP-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 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 (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-20020151539-A1 Novel heterocyclic compounds IAPP, GPR119, NPY1R FNTA 3191/4885FNTB 2306/4885CYP3A4 3388/4885

“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.