SCHEMBL4806930

SCHEMBL4806930

O=c1[nH]ncc(Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
POLB P06746 1/20 0.40
PTPN11 Q06124 1/20 0.40
NOTUM Q6P988 3/20 0.40
METAP2 P50579 1/20 0.39
IKBKB O14920 1/20 0.39
MAP3K14 Q99558 1/20 0.39
MAPT P10636 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
XDH P47989 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL17151489 0.86 TYMP (0.47) NOTUMMEN1KMT2AHTR2AKDM4E
SCHEMBL10558188 0.85 HPGD (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4803127 0.84 SMN1; SMN2 (0.41) METAP2MAPTMEN1KMT2ACYP1A2
SCHEMBL4049176 0.84 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20818455 0.79 LTA4H (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4806075 0.77 MAPK14 (0.46) MAPTMEN1KMT2AUSP2CYP1A2
SCHEMBL4804927 0.74 MAPT (0.48) POLBPTPN11NOTUMMETAP2MAPT
SCHEMBL1708378 0.74 PSD (0.41) NOTUMMAPTMEN1KMT2AUSP2
SCHEMBL12191418 0.74 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20831304 0.73 SMN1; SMN2 (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9

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
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR GRIN2D 389/4885GRIN3B 234/4885GRIN1 135/4885

“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.