SCHEMBL4747376

SCHEMBL4747376

CC(C)(C)C1CN(c2ncc(Br)nc2-c2ccccc2Cl)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.39
SLC6A7 Q99884 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SMO Q99835 2/20 0.36
CNR1 P21554 5/20 0.35
CNR2 P34972 4/20 0.35
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.34
KRAS P01116 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4747377 0.77 CNR1 (0.54) POLBCNR1CNR2
SCHEMBL2703197 0.74 ABCB1 (0.48) KDM4EALDH1A1MAPTNPSR1CNR1
SCHEMBL16636965 0.74 CYP3A4 (0.46) SLC6A7ALDH1A1LMNAKRASCYP1A2
SCHEMBL16637073 0.74 LRRK2 (0.57)
SCHEMBL3790060 0.72 GRM1 (0.39) GRM1SLC6A7
SCHEMBL4508825 0.71 GRM4 (0.42) SLC6A7LMNA
SCHEMBL4695724 0.70 KMT2A (0.41) GRM1SLC6A7ALDH1A1LMNASMO
SCHEMBL7841920 0.70 HRH4 (0.52) SLC6A7SMO
SCHEMBL22519008 0.70 CHRM1 (0.46) GRM1SLC6A7
SCHEMBL16636880 0.69 SMN1; SMN2 (0.36) SLC6A7ALDH1A1SMOKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 GRM1 104/4885SLC6A7 1215/4885KDM4E 1408/4885

“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.