SCHEMBL3735346

SCHEMBL3735346

Cc1ccc(CCC(=O)c2ccc(F)c(C)c2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
SRC P12931 2/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
MEN1 O00255 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MMP13 P45452 2/20 0.33
MMP10 P09238 1/20 0.33
MMP9 P14780 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
SCHEMBL3735555 0.80 PIM1 (0.48) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3741070 0.80 PIM1 (0.45) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3740566 0.77 PIM1 (0.48) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3737701 0.76 PIM1 (0.44) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3732811 0.76 KCNH2 (0.46) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3730107 0.76 PIM1 (0.42) PIM1KMT2AKDM4EPOLBMEN1
SCHEMBL3746155 0.75 PIM1 (0.43) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3733539 0.74 SLC5A1 (0.50) PIM1SRCKMT2ARAB9AALDH1A1
SCHEMBL3730053 0.74 PIM1 (0.47) PIM1SRCKMT2AKDM4EPOLB
SCHEMBL3730695 0.73 GPR84 (0.47) PIM1KMT2AKDM4EPOLBRAB9A

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
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
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 4785/4885SRC 4366/4885KMT2A 364/4885

“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.