SCHEMBL3737701

SCHEMBL3737701

Cc1cc(C(=O)CCc2cnccn2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SYK P43405 1/20 0.37
AGTR1 P30556 1/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
PLA2G7 Q13093 1/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.35

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 0.83 PIM1 (0.48) PIM1MAPTKMT2AKDM4ESRC
SCHEMBL3746155 0.81 PIM1 (0.43) PIM1MAPTKMT2AKDM4ESRC
SCHEMBL3741070 0.81 PIM1 (0.45) PIM1KMT2AKDM4ESRCPOLB
SCHEMBL3730053 0.77 PIM1 (0.47) PIM1GRIN1GRIN2BMAPK1KMT2A
SCHEMBL3730107 0.77 PIM1 (0.42) PIM1KMT2AKDM4EPOLBGAA
SCHEMBL3735346 0.76 PIM1 (0.49) PIM1MAPK1MAPTKMT2AKDM4E
SCHEMBL3740566 0.75 PIM1 (0.48) PIM1MAPK1KMT2AKDM4ESRC
SCHEMBL3732811 0.74 KCNH2 (0.46) PIM1GRIN1GRIN2BMAPTNAMPT
SCHEMBL3743226 0.74 PIM1 (0.42) PIM1
SCHEMBL3733165 0.73 KCNQ3 (0.44) PIM1MAPTKMT2AALDH1A1

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 4785/4885GRIN1 75/4885GRIN2B 58/4885

“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.