SCHEMBL3740566

SCHEMBL3740566

Cc1ccc(CCC(=O)c2ccc(F)c(C)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
GRM2 Q14416 1/20 0.38
SRC P12931 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
GAA P10253 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3733165 0.87 KCNQ3 (0.44) PIM1KCNQ3KCNQ2MMP13KMT2A
SCHEMBL3743226 0.85 PIM1 (0.42) PIM1KCNQ3KCNQ2MMP13FFAR1
SCHEMBL3733539 0.82 SLC5A1 (0.50) PIM1KMT2AFFAR1SRCF2
SCHEMBL3735555 0.82 PIM1 (0.48) PIM1KCNQ3KCNQ2SMN1; SMN2HDAC1
SCHEMBL3730053 0.81 PIM1 (0.47) PIM1MMP13KMT2AFFAR1KDM4E
SCHEMBL3730695 0.81 GPR84 (0.47) PIM1KMT2AFFAR1KDM4EPOLB
SCHEMBL3738007 0.77 PDPK1 (0.44) PIM1HDAC1FFAR1F2F10
SCHEMBL3735346 0.77 PIM1 (0.49) PIM1KCNQ3KCNQ2SMN1; SMN2MMP13
SCHEMBL3739732 0.77 PIM1 (0.43) PIM1SMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL3741070 0.76 PIM1 (0.45) PIM1KCNQ3KCNQ2KMT2AKDM4E

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 PIM1 4785/4885KCNQ3 1664/4885KCNQ2 2251/4885

“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.