SCHEMBL4637271

SCHEMBL4637271

Cc1cccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.70
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
MAPT P10636 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 5/20 0.55
PKM P14618 1/20 0.55
LMNA P02545 2/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
NAMPT P43490 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4637946 0.86 CNR1 (0.70) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15306496 0.85 CNR1 (0.77) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15308418 0.85 MEN1 (0.78) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22834158 0.83 CNR1 (1.00) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29615017 0.83 CNR1 (1.00) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4637328 0.83 CNR1 (0.77) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6297252 0.81 CNR1 (0.70) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4637263 0.81 CNR1 (0.73) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL15306499 0.80 CNR1 (0.77) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6968982 0.80 CNR1 (0.76) CNR1MEN1KMT2AMAPTSMN1; SMN2

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
EP-1807390-A4 ARYLALKYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORP (US) 2008-07-02 EP claimed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US claimed
EP-1807390-A2 ARYLALKYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-18 EP claimed
WO-2006052542-A2 ARYLALKYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-18 WO claimed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885MEN1 4403/4885KMT2A 1756/4885

“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.