SCHEMBL1840778

SCHEMBL1840778

C[C@H](NC(=O)c1ccc2nc(C(F)(F)C(F)(F)F)ccc2c1)c1cnn(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.41
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DDR2 Q16832 3/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ACSS2 Q9NR19 1/20 0.35
RORC P51449 1/20 0.34
HPGDS O60760 1/20 0.34
ACHE P22303 1/20 0.34
KCNT1 Q5JUK3 4/20 0.34
DGAT2 Q96PD7 4/20 0.34
KCNQ1 P51787 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
KCNMB1 Q16558 1/20 0.33
KCNT2 Q6UVM3 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL1842002 1.00 BRPF1 (0.41) BRPF1CDK2AKT1NPSR1DDR2
SCHEMBL1839208 0.93 BRPF1 (0.43) BRPF1CDK2AKT1DDR2MAOA
SCHEMBL1840121 0.93 BRPF1 (0.43) BRPF1CDK2AKT1DDR2MAOA
SCHEMBL1842135 0.93 BRPF1 (0.43) BRPF1CDK2AKT1DDR2MAOA
SCHEMBL1841102 0.92 BRPF1 (0.41) BRPF1CDK2AKT1NPSR1DDR2
SCHEMBL1841106 0.92 BRPF1 (0.41) BRPF1CDK2AKT1NPSR1DDR2
SCHEMBL1843752 0.92 BRPF1 (0.41) BRPF1CDK2AKT1NPSR1DDR2
SCHEMBL1843009 0.83 BRPF1 (0.43) BRPF1NPSR1DDR2HPGDSKCNT1
SCHEMBL1844278 0.83 BRPF1 (0.54) BRPF1DDR2KCNT1KCNQ1KCNH2
SCHEMBL1838894 0.83 BRPF1 (0.43) BRPF1NPSR1DDR2HPGDSKCNT1

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-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 BRPF1 1691/4885CDK2 1528/4885AKT1 1925/4885

“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.