SCHEMBL5339786

SCHEMBL5339786

CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2F)c1CNC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
FAAH O00519 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 1/20 0.39
KCNH2 Q12809 1/20 0.39
TARBP2 Q15633 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
LMNA P02545 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL5335521 0.88 MDM2 (0.46) OPRL1KCNH2LMNANR1H4
SCHEMBL5343059 0.83 CNR1 (0.42) OPRL1FAAHGABRA2GABRB2ALDH1A1
SCHEMBL5336458 0.76 GABRA2 (0.47) NPSR1GABRA2GABRB2TP53ALDH1A1
SCHEMBL5341290 0.71 GABRA2 (0.46) NPSR1GABRA2GABRB2ALDH1A1CYP19A1
SCHEMBL5341462 0.70 CNR1 (0.44) OPRL1ALDH1A1NR1H4
SCHEMBL5768924 0.69 PDE4B (0.46) OPRL1FAAHMGLL
SCHEMBL5769839 0.69 PDE4B (0.46) OPRL1FAAHMGLL
SCHEMBL10057707 0.69 NPSR1 (0.64) NPSR1ALDH1A1CYP19A1MAPT
SCHEMBL5751411 0.67 GABRA2 (0.47) NPSR1GABRA2GABRB2ALDH1A1CYP19A1
SCHEMBL9894464 0.66 MDM2 (0.77) NPSR1GABRA2GABRB2ALDH1A1CYP19A1

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 14 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-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
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-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 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
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US 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 OPRL1 4/4885FAAH 8/4885NPSR1 15/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 OPRL1 4/4885FAAH 8/4885NPSR1 15/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRL1 4/4885FAAH 7/4885NPSR1 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.