SCHEMBL415676

SCHEMBL415676

CNCc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.55
DRD2 P14416 5/20 0.55
DRD3 P35462 5/20 0.55
SIGMAR1 Q99720 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PLA2G1B P04054 1/20 0.51
RAB9A P51151 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MC4R P32245 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NCF1 P14598 2/20 0.48

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
SCHEMBL13958853 0.85 DRD4 (0.54) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL14036497 0.85 DRD4 (0.51) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL12000243 0.84 DRD4 (0.64) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL7539023 0.82 HTR2A (0.50) DRD4DRD2DRD3
SCHEMBL14132945 0.81 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL23536367 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL7537231 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL2454168 0.80 DRD4 (0.63) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL29931970 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL414567 0.80 NCF1 (0.58) DRD4DRD2DRD3NCF1

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-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
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 DRD4 966/4885DRD2 2415/4885DRD3 2161/4885

“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.