SCHEMBL414567

SCHEMBL414567

CNCc1ccccc1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.58
BRD9 Q9H8M2 12/20 0.52
BRD4 O60885 4/20 0.52
BRPF1 P55201 3/20 0.52
BRD7 Q9NPI1 2/20 0.52
ADRA2C P18825 1/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51

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
SCHEMBL1487941 0.86 NCF1 (0.58) NCF1BRD9BRD4BRPF1BRD7
SCHEMBL16573967 0.84 LIPG (0.52) NCF1BRD9BRD4
SCHEMBL415498 0.83 BRD4 (0.48) BRD9BRD4DRD2DRD3DRD4
SCHEMBL415624 0.83 DRD2 (0.51) NCF1BRD9BRD4ADRA2CDRD2
SCHEMBL3127155 0.83 BRD4 (0.53) BRD9BRD4
SCHEMBL14355870 0.82 NCF1 (0.57) NCF1BRD9BRD4BRPF1BRD7
SCHEMBL8361520 0.82 DRD2 (0.72) NCF1BRD9BRD4BRPF1BRD7
SCHEMBL16814964 0.81 HTR1A (0.55) NCF1BRD9DRD2DRD3HTR1A
SCHEMBL416499 0.81 KDM4E (0.41) NCF1BRD9BRD4BRPF1BRD7
SCHEMBL22957823 0.80 MEN1 (0.54)

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 NCF1 750/4885BRD9 731/4885BRD4 244/4885

“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.