SCHEMBL5375560

SCHEMBL5375560

Fc1ccc(-c2c3cnnc(N4CC5CC4CN5)c3nn2-c2ccccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.40
HRH4 Q9H3N8 6/20 0.39
CNR1 P21554 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 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
SCHEMBL5380941 0.77 LMNA (0.48) CNR1LMNATP53
SCHEMBL5410217 0.75 CNR1 (0.48) HRH4CNR1CHRNB2CHRNA4
SCHEMBL5410210 0.75 CNR1 (0.48) HRH4CNR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5405780 0.75 CNR1 (0.48) HRH4CNR1
Hydrochloric Acid SCHEMBL5405784 0.75 CNR1 (0.48) HRH4CNR1
SCHEMBL5370878 0.74 CNR1 (0.47) CNR1LMNATP53
SCHEMBL5379203 0.71 CNR1 (0.41) CNR1LMNATP53
SCHEMBL5368810 0.71 CNR1 (0.41) CNR1LMNATP53
SCHEMBL27636216 0.71 ADORA3 (0.38) CNR1LMNATP53
SCHEMBL27636190 0.69 CNR1 (0.40) CNR1LMNATP53

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-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US claimed
US-20040248881-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-09 US claimed
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 US disclosed
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
EP-1636233-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004108728-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-12-16 WO disclosed
US-20040248881-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-09 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-20040248881-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CSNK1E 509/4885HRH4 223/4885CNR1 1/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 CSNK1E 553/4885HRH4 207/4885CNR1 2/4885

“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.