SCHEMBL17828153

SCHEMBL17828153

C=C(C)c1cncc(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
ACKR3 P25106 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3509528 0.82 SMYD3 (0.39) SMYD3KMT2AKDM4ECHRNB2CHRNA4
SCHEMBL3648125 0.81 CYP4F2 (0.33) SMYD3MAPTKDM4EALDH1A1
SCHEMBL11620686 0.80 SMYD3 (0.50) SMYD3SMN1; SMN2MAPTHTTCYP2C9
SCHEMBL3644754 0.79 SMYD3 (0.35) SMYD3SMN1; SMN2MAPTHTTCYP2C9
SCHEMBL3646494 0.79 CHRNA7 (0.39) SMYD3MAPTCYP2C19L3MBTL1KDM4E
SCHEMBL1820254 0.76 RXRA (0.35) SMN1; SMN2ALDH1A1
SCHEMBL846393 0.76 CYP2C9 (0.61) SMYD3SMN1; SMN2MAPTHTTCYP2C9
SCHEMBL30281282 0.76 CYP2C9 (0.61) SMYD3SMN1; SMN2MAPTHTTCYP2C9
SCHEMBL3641317 0.75 SMYD3 (0.33) SMYD3
SCHEMBL747240 0.75 POLB (0.55) SMYD3SMN1; SMN2MAPTHTTPKM

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
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 SMYD3 580/4885SMN1; SMN2 1734/4885MAPT 3669/4885

“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.