SCHEMBL7679490

SCHEMBL7679490

CCOC(=O)CCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CYP3A4 P08684 2/20 0.43
NOTUM Q6P988 1/20 0.43
HTT P42858 1/20 0.43
DRD3 P35462 4/20 0.43
CHRM1 P11229 4/20 0.43
SETD7 Q8WTS6 3/20 0.43
SLC6A2 P23975 3/20 0.43
CHRM2 P08172 3/20 0.43
ADRA2A P08913 3/20 0.43
DRD1 P21728 3/20 0.43
HTR1A P08908 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ADRA1A P35348 2/20 0.43
KCNH2 Q12809 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL7682654 0.94 FNTA (0.50) FNTAFNTBCYP3A4NOTUMHTT
SCHEMBL7676741 0.90 FNTA (0.53) FNTAFNTBCYP3A4NOTUMHTT
SCHEMBL9718777 0.87 HRH1 (0.54) FNTAFNTBNOTUMDRD3CHRM1
SCHEMBL11599742 0.86 FNTA (0.56) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL9718778 0.86 HRH1 (0.53) FNTAFNTBNOTUMDRD3CHRM1
SCHEMBL7682329 0.85 FNTA (0.57) FNTAFNTBCYP3A4NOTUMHTT
SCHEMBL9844289 0.84 FNTA (0.61) FNTAFNTBCYP3A4HTTDRD3
Hydrochloric Acid SCHEMBL7679240 0.84 FNTA (0.56) FNTAFNTBCYP3A4NOTUMHTT
SCHEMBL7681833 0.83 FNTA (0.51) FNTAFNTBCYP3A4HTTDRD3
SCHEMBL7681290 0.82 ALDH1A1 (0.51) FNTAFNTBHTR1ANPSR1HTR2A

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-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US disclosed
US-6391890-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES NOVO NORDISK A/S (DK) 2002-05-21 US disclosed
US-6054458-A Heterocyclic compounds NOVONORDISKALS (DK) 2000-04-25 US disclosed
EP-0991633-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
WO-1999000376-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO disclosed
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.