SCHEMBL2302227

SCHEMBL2302227

N#Cc1ccc2c(c1)C[N]CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.51
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
KDM1A O60341 2/20 0.39
TRPA1 O75762 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 4/20 0.35
BACE1 P56817 1/20 0.33

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
SCHEMBL2299191 0.93 DRD2 (0.51) PNMTDRD2DRD3KDM1ATRPA1
SCHEMBL586096 0.84 PNMT (0.48) PNMTDRD2DRD3KDM1ATRPA1
SCHEMBL8222195 0.74 PNMT (0.60) PNMTDRD2DRD3KDM1ACYP11B1
SCHEMBL3363261 0.74 PNMT (0.60) PNMTDRD2DRD3KDM1ACYP11B1
SCHEMBL29618357 0.74 PNMT (0.60) PNMTDRD2DRD3KDM1ACYP11B1
SCHEMBL29741121 0.74 PNMT (0.60) PNMTDRD2DRD3KDM1ACYP11B1
Hydrochloric Acid SCHEMBL15205820 0.72 PNMT (0.58) PNMTDRD2DRD3KDM1ACYP11B1
Hydrochloric Acid SCHEMBL30894888 0.72 PNMT (0.58) PNMTDRD2DRD3KDM1ACYP11B1
SCHEMBL17350029 0.72 PNMT (0.58) PNMTDRD2DRD3KDM1ACYP11B1
SCHEMBL7647780 0.72 PNMT (0.44) PNMTDRD2DRD3KDM1ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 PNMT 1914/4885DRD2 2097/4885DRD3 2577/4885

“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.