SCHEMBL5336458

SCHEMBL5336458

CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2F)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.47
GABRB2 P47870 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TARBP2 Q15633 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP19A1 P11511 2/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MDM2 Q00987 1/20 0.42
ELANE P08246 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5751411 0.90 GABRA2 (0.47) GABRA2GABRB2NPSR1TARBP2ALDH1A1
SCHEMBL6532756 0.84 GABRA2 (0.59) GABRA2GABRB2NPSR1TARBP2MAPT
SCHEMBL5339175 0.78 TARBP2 (0.46) GABRA2GABRB2NPSR1TARBP2ALDH1A1
SCHEMBL5339179 0.78 TARBP2 (0.46) GABRA2GABRB2NPSR1TARBP2ALDH1A1
SCHEMBL5339713 0.77 CNR1 (0.50) GABRA2GABRB2MAPTKMT2AKDM4E
SCHEMBL5339786 0.76 OPRL1 (0.42) GABRA2GABRB2NPSR1TARBP2ALDH1A1
SCHEMBL5341290 0.76 GABRA2 (0.46) GABRA2GABRB2NPSR1TARBP2ALDH1A1
SCHEMBL10057707 0.75 NPSR1 (0.64) NPSR1ALDH1A1CYP19A1MAPT
SCHEMBL2677617 0.73 NPSR1 (0.60) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6357570 0.72 CNR1 (0.57) MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7145012-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2006-12-05 US disclosed
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
US-20060205720-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
EP-1622909-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004094429-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 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 (3 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-20060205720-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 GABRA2 32/4885GABRB2 59/4885NPSR1 15/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 GABRA2 32/4885GABRB2 59/4885NPSR1 15/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 GABRA2 34/4885GABRB2 58/4885NPSR1 11/4885

“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.