SCHEMBL18886307

SCHEMBL18886307

[N-]=[N+]=NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NCF1 P14598 1/20 0.32
▸ CA2 P00918 4/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ MGMT P16455 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
SCHEMBL15284774 0.94 CRBN (0.36) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL14787951 0.94 CRBN (0.36) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL14129583 0.94 CRBN (0.36) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL14439648 0.93 CRBN (0.35) CRBNMEN1KMT2ATTR
SCHEMBL14439651 0.91 CRBN (0.35) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL18385066 0.91 GLP1R (0.38) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL26748719 0.89 CRBN (0.36) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL18886281 0.88 CRBN (0.41) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL17282361 0.88 CRBN (0.41) CRBNMEN1KMT2ATTRSMN1; SMN2
SCHEMBL19164024 0.88 CRBN (0.38) CRBNMEN1KMT2ATTRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173408-B1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO LTD (JP) 2018-11-21 — — EP disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 — — US disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 — — US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 — — US disclosed
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 — — EP disclosed
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 — — EP 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 CRBN 3846/4885MEN1 2007/4885KMT2A 1917/4885

“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.

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