SCHEMBL18084012

SCHEMBL18084012

CCn1ccnc1/C=C/C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MLYCD O95822 2/20 0.38
FDPS P14324 1/20 0.37
LPO P22079 2/20 0.36
TTR P02766 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HCAR2 Q8TDS4 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
SCHEMBL18083997 0.88 KMT2A (0.39) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL15765005 0.87 CA12 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL18106171 0.86 MLYCD (0.38) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL18083999 0.86 KMT2A (0.45) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL15758840 0.83 SMN1; SMN2 (0.39) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15758042 0.83 SMN1; SMN2 (0.39) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19937735 0.80 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2490683 0.80 CA12 (0.41) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL2490681 0.80 CA12 (0.41) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL20663374 0.78 SMN1; SMN2 (0.35) SMN1; SMN2MAPT

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-10173999-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2019-01-08 US disclosed
US-20180065950-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-03-08 US disclosed
WO-2016136944-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 2016-09-01 WO 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 (2 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-10173999-B2 Cyclic amine derivative and pharmaceutical use thereof OPRL1, PDE3A, TRPV1 KMT2A 1160/4885MEN1 1113/4885KDM4E 1676/4885
US-20180065950-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF OPRL1, PDE3A, TRPV1 KMT2A 1160/4885MEN1 1113/4885KDM4E 1676/4885

“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.