SCHEMBL4842348

SCHEMBL4842348

Cc1nc(NCC(C)(F)F)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 3/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 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
SCHEMBL4832921 0.93 CRHR1 (0.39) CRHR1CNR1CNR2HTTKDM4E
SCHEMBL4834043 0.83 CRHR1 (0.43) CRHR1CNR1CNR2MAPTNPSR1
SCHEMBL4841371 0.81 MAPT (0.44) CRHR1CNR1KDM4EALDH1A1MAPT
SCHEMBL4844544 0.81 CRHR1 (0.45) CRHR1CNR1CNR2MAPTTP53
SCHEMBL4836351 0.80 CNR1 (0.36) CRHR1CNR1CNR2HTTKDM4E
SCHEMBL8261401 0.79 CNR1 (0.45) CRHR1CNR1CNR2HTTKDM4E
SCHEMBL4832926 0.79 CNR1 (0.45) CRHR1CNR1CNR2HTTKDM4E
SCHEMBL4841460 0.78 ALDH1A1 (0.54) HTTKDM4EALDH1A1MAPTMAPK1
SCHEMBL5607652 0.78 CNR1 (0.40) CRHR1CNR1CNR2HTTALDH1A1
SCHEMBL4836355 0.77 CRHR1 (0.42) CRHR1CNR1CNR2HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CRHR1 26/4885CNR1 1/4885CNR2 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.