SCHEMBL17820013

SCHEMBL17820013

COCC(=O)c1ncc(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.38
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NNMT P40261 1/20 0.33
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15148333 0.77 APLNR (0.41) APLNRHSD17B10ALDH1A1TSHRRAB9A
SCHEMBL17820967 0.74 KDM4E (0.39) ALDH1A1POLBRAB9AKDM4EGAA
SCHEMBL10382421 0.72 ATM (0.47) APLNRALDH1A1TSHRRAB9AMAPT
SCHEMBL279733 0.72 GRM5 (0.43) RAB9ANPC1SMN1; SMN2
SCHEMBL31728154 0.72 ALDH1A1 (0.36) HSD17B10ALDH1A1RAB9AMAPTHPGD
SCHEMBL12457581 0.69 CYP1A2 (0.46) ALDH1A1TSHRKDM4EHPGDLMNA
SCHEMBL17820959 0.69 ALDH1A1 (0.41) APLNRALDH1A1TSHRRAB9AMAPT
SCHEMBL22509130 0.69 RAB9A (0.40) HSD17B10ALDH1A1RAB9AMAPTKDM4E
SCHEMBL18622319 0.69 APLNR (0.36) APLNRALDH1A1TSHRRAB9AMAPT
SCHEMBL9852803 0.69 APLNR (0.45) APLNRHSD17B10ALDH1A1RAB9AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
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
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
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 APLNR 2681/4885HSD17B10 2439/4885ALDH1A1 2519/4885

“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.