SCHEMBL7778626

SCHEMBL7778626

O=NN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ CYP2C19 P33261 2/20 0.58
▸ GRIN2B Q13224 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TGM2 P21980 3/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ F13A1 P00488 2/20 0.47
▸ TGM1 P22735 2/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL7975296 0.94 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.87 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.87 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29260072 0.85 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29259995 0.85 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 — — US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 — — US disclosed
EP-3199530-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR Changzhou Yinsheng Pharmaceutical Co., Ltd. (CN) 2017-08-02 — — EP disclosed
EP-0704439-B1 NOVEL INTERMEDIATE FOR SYNTHETIC USE AND PROCESS FOR PRODUCING AMINOPIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-16 — — EP disclosed
US-5708172-A Intermediates for synthetic use and processes for producing aminopiperazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 — — US disclosed
EP-0704439-A1 NOVEL INTERMEDIATE FOR SYNTHETIC USE AND PROCESS FOR PRODUCING AMINOPIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-03 — — 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-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B MEN1 4487/4885KMT2A 2117/4885NPSR1 3579/4885

“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.

Send feedback