SCHEMBL1753258

SCHEMBL1753258

[C-]#[N+]c1cccc(-n2cnc3c(=O)n(-c4ccc(Br)cc4)c(-c4ccc(Cl)cc4Cl)nc32)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
XDH P47989 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 2/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.35
KCNH2 Q12809 1/20 0.35
TNKS O95271 1/20 0.34

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
SCHEMBL1689075 0.87 RXFP1 (0.42) RXFP1XDHCNR1CNR2KCNH2
SCHEMBL1689328 0.84 TDP2 (0.42) RXFP1XDHCNR1CNR2
SCHEMBL1689117 0.84 CNR1 (0.46) RXFP1XDHCNR1CNR2KCNH2
SCHEMBL1753620 0.83 RXFP1 (0.38) RXFP1XDHCNR1CNR2HTR2A
SCHEMBL1753452 0.82 MAPT (0.48) RXFP1XDHMCHR1
SCHEMBL1689114 0.81 CNR1 (0.45) XDHCNR1CNR2MCHR1KCNH2
SCHEMBL1753330 0.80 TDP2 (0.42) RXFP1CNR1CNR2KCNH2
SCHEMBL1688940 0.79 XDH (0.48) XDHCNR1CNR2MCHR1KCNH2
SCHEMBL1688959 0.79 TDP2 (0.46) XDHCNR1CNR2KCNH2
SCHEMBL1753298 0.79 F2RL3 (0.46) XDHCNR1CNR2KCNH2TNKS

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
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 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 (2 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH RXFP1 568/4885XDH 3541/4885CNR1 1/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH RXFP1 568/4885XDH 3541/4885CNR1 1/4885

“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.