SCHEMBL415498

SCHEMBL415498

CNCc1ccccc1N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
BRD9 Q9H8M2 3/20 0.48
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 4/20 0.46
CYP2A13 Q16696 4/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA1A P35348 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
FGFR1 P11362 1/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3127155 0.89 BRD4 (0.53) BRD4BRD9L3MBTL1CYP2A13FGFR1
SCHEMBL415624 0.85 DRD2 (0.51) BRD4BRD9DRD2DRD3HRH1
SCHEMBL416499 0.83 KDM4E (0.41) BRD4BRD9DRD2DRD3DRD4
SCHEMBL414567 0.83 NCF1 (0.58) BRD4BRD9DRD2DRD3DRD4
SCHEMBL14355869 0.81 CYP2A13 (0.58) DRD2DRD3DRD4HRH2HRH1
SCHEMBL415676 0.79 DRD4 (0.55) DRD2DRD3DRD4L3MBTL1POLB
SCHEMBL3436474 0.78 AKR1C3 (0.61) DRD2DRD3KDM1ACYP2A13ADRA1A
SCHEMBL16573967 0.78 LIPG (0.52) BRD4BRD9L3MBTL1
SCHEMBL3730392 0.78 CYP2A13 (0.67) L3MBTL1CYP2A13CYP2D6HRH3
SCHEMBL1239635 0.76 TAAR1 (0.45) BRD4BRD9L3MBTL1CYP2A13FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 BRD4 244/4885BRD9 731/4885DRD2 2415/4885

“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.