SCHEMBL4332631

SCHEMBL4332631

CC(=O)CN[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
FOLH1 Q04609 2/20 0.42

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
SCHEMBL16034256 0.86 POLB (0.53) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL19849104 0.84 ESR1 (0.43) ALDH1A1KDM4ELMNACYP3A4CYP2D6
SCHEMBL24433342 0.81 APAF1 (0.61) HTTPOLBALDH1A1LMNACYP3A4
SCHEMBL8045931 0.78 KMT2A (0.60) HTTALDH1A1KDM4ELMNACYP3A4
SCHEMBL26578388 0.78 POLB (0.56) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL1905029 0.77 DPP4 (0.48) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL1905027 0.77 DPP4 (0.48) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL2295415 0.76 NPC1 (0.61) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL2298692 0.76 NPC1 (0.61) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL2295411 0.76 NPC1 (0.61) HTTPOLBALDH1A1KDM4ELMNA

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
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 HTT 4326/4885POLB 3961/4885ALDH1A1 785/4885

“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.