SCHEMBL3746155

SCHEMBL3746155

Cc1cc(C(=O)CCc2cnc(Cl)cn2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
KCNQ3 O43525 6/20 0.39
KCNQ2 O43526 6/20 0.39
KCNE1 P15382 4/20 0.39
KCNQ1 P51787 4/20 0.39
SRC P12931 2/20 0.36
S1PR3 Q99500 4/20 0.36
S1PR1 P21453 3/20 0.36
KCNQ5 Q9NR82 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 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 0.87 PIM1 (0.48) PIM1KCNQ3KCNQ2SRCKDM4E
SCHEMBL3733165 0.82 KCNQ3 (0.44) PIM1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3741070 0.82 PIM1 (0.45) PIM1KCNQ3KCNQ2SRCKDM4E
SCHEMBL3737701 0.81 PIM1 (0.44) PIM1SRCKDM4EPOLBKMT2A
SCHEMBL3737713 0.80 KCNN4 (0.35) KCNQ3KCNQ2KCNE1KCNQ1HDAC1
SCHEMBL3730107 0.78 PIM1 (0.42) PIM1KDM4EPOLBKMT2ACYP1A2
SCHEMBL3730695 0.76 GPR84 (0.47) PIM1KDM4EPOLBKMT2AALDH1A1
SCHEMBL3735346 0.75 PIM1 (0.49) PIM1KCNQ3KCNQ2SRCKDM4E
SCHEMBL3740566 0.74 PIM1 (0.48) PIM1KCNQ3KCNQ2SRCKDM4E
SCHEMBL3730053 0.74 PIM1 (0.47) PIM1SRCKDM4EPOLBKMT2A

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 4785/4885KCNQ3 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.