SCHEMBL5964500

SCHEMBL5964500

CCOC(=O)c1ccc(-c2ccccc2C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.48
AVPR1A P37288 2/20 0.48
PDK2 Q15119 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CACNA1C Q13936 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL5964032 0.86 OXTR (0.48) OXTRAVPR1APDK2NPC1RAB9A
SCHEMBL8303037 0.80 LDHA (0.57) OXTRAVPR1AL3MBTL1KMOALDH1A1
SCHEMBL4971976 0.80 KDM4E (0.48) PDK2KDM4EL3MBTL1KMOALDH1A1
SCHEMBL29800427 0.79 CA12 (0.56) NPC1RAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL811649 0.79 CA12 (0.56) NPC1RAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL4970826 0.79 KDM4E (0.47) KDM4EL3MBTL1KMOALDH1A1CYP1A2
SCHEMBL28779574 0.78 MKNK1 (0.46) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL1222552 0.77 NPC1 (0.62) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL14881891 0.76 TGFBR1 (0.48) NPC1RAB9AKDM4EKMOCYP1A2
SCHEMBL1751109 0.76 P4HTM (0.57) NPC1RAB9AKDM4EALDH1A1HSD17B10

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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 WO 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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 OXTR 278/4885AVPR1A 239/4885PDK2 3930/4885

“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.