SCHEMBL1415364

SCHEMBL1415364

CCCN1CCc2c([nH]c3cc(N)ccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
GRIN2B Q13224 3/20 0.50
SIGMAR1 Q99720 3/20 0.48
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3876357 0.90 HTR1A (0.56) HTR1AGRIN2BSIGMAR1
SCHEMBL3881136 0.82 KDM4E (0.64) GRIN2BKDM4E
SCHEMBL1415530 0.81 HTR1A (0.81) HTR1AGRIN2BSIGMAR1KDM4E
SCHEMBL3886166 0.79 BAZ2B (0.52) HTR1AGRIN2BSIGMAR1
SCHEMBL7996548 0.79 BAZ2B (0.49) GRIN2BSIGMAR1KDM4E
SCHEMBL20145479 0.76 HTR1A (0.80) HTR1AGRIN2BSIGMAR1
SCHEMBL16624100 0.75 HTR1A (0.50) HTR1AGRIN2BSIGMAR1KDM4E
SCHEMBL17993875 0.74 MEN1 (0.55) HTR1AGRIN2BSIGMAR1
SCHEMBL25774052 0.73 HTR7 (0.54) HTR1AKDM4E
SCHEMBL4944193 0.73 HTR1A (0.97) HTR1AGRIN2BSIGMAR1KDM4E

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-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-1809598-B1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-03-16 EP disclosed
EP-1809598-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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 (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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 HTR1A 118/4885GRIN2B 223/4885SIGMAR1 224/4885

“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.