SCHEMBL6637686

SCHEMBL6637686

OCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
SLC6A4 P31645 8/20 0.56
SLC6A2 P23975 6/20 0.56
CHRM2 P08172 5/20 0.56
CHRM1 P11229 5/20 0.56
DRD3 P35462 5/20 0.56
SLC22A1 O15245 4/20 0.56
CYP2D6 P10635 4/20 0.56
DRD2 P14416 4/20 0.56
CHRM3 P20309 4/20 0.56
ADRA1A P35348 4/20 0.56
CACNA1B Q00975 4/20 0.56
SLC6A3 Q01959 4/20 0.56
KCNH2 Q12809 4/20 0.56
CYP3A4 P08684 4/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
HTR2C P28335 3/20 0.56
HRH1 P35367 3/20 0.56
OPRK1 P41145 3/20 0.56

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
SCHEMBL6961973 0.88 HTR2A (0.68) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL14277003 0.87 POLB (0.61) CHRM2CHRM1DRD3DRD2CHRM3
SCHEMBL7168298 0.86 HTR2A (0.66) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL13051501 0.83 HTR2A (0.78) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL5711025 0.82 HTR2A (0.47) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL29833637 0.82 HTR2A (0.47) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL8201084 0.81 HTR2A (0.59) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL8859019 0.79 SLC6A4 (0.61) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL9404599 0.79 HTR2A (0.61) HTR2ASLC6A4SLC6A2CHRM2CHRM1
SCHEMBL22018905 0.79 HTR2A (0.61) HTR2ASLC6A4SLC6A2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414806-A1 NOVEL VINYL N-(2-BENZOYLPHENYL)-L-TYROSINE DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC NOVO NORDISK A/S (DK) 2004-05-06 EP disclosed
US-20030055076-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2003-03-20 US disclosed
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
WO-2003011834-A1 NOVEL VINYL N-(2-BENZOYLPHENYL)-L-TYROSINE DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC NOVO NORDISK A/S (DK) 2003-02-13 WO disclosed
US-6468996-B1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ACTIVATORS; TREATMENT OF DIABETES AND OBESITY. NOVO NORDISK A/S (DK) 2002-10-22 US disclosed
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma JEPPESEN LONE (DK) 2002-08-22 US disclosed
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-15 US disclosed
US-20020103188-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-01 US disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0585314-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
WO-1992020658-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-11-26 WO 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 (4 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-20020103188-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators PPARG, PPARA, PPARD HTR2A 1523/4885SLC6A4 4440/4885SLC6A2 4676/4885
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma PPARG, PPARA, PPARD HTR2A 1457/4885SLC6A4 4319/4885SLC6A2 4654/4885
US-20030055076-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD HTR2A 1500/4885SLC6A4 4487/4885SLC6A2 4593/4885
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators PPARG, PPARA, PPARD HTR2A 1774/4885SLC6A4 4530/4885SLC6A2 4666/4885

“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.