SCHEMBL13229205

SCHEMBL13229205

O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)cn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.63
CHRNA4 P43681 3/20 0.63
CHRNB4 P30926 2/20 0.63
CHRNA3 P32297 2/20 0.63
MAPT P10636 8/20 0.62
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.49
ABL1 P00519 1/20 0.44
AR P10275 1/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4875099 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL29618158 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL2793032 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL13202791 0.93 MAPT (0.68) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL17054802 0.92 MAPT (0.68) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL161270 0.90 MAPT (0.69) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL29742107 0.90 MAPT (0.69) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL23103819 0.88 MAPT (0.70) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL23103843 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL23104350 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3MAPT

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
CN-114641476-B Preparation and application of protein receptor kinase inhibitors 上海轶诺药业有限公司 2023-05-02 CN disclosed
CN-114641476-A Preparation and application of protein receptor kinase inhibitor 上海轶诺药业有限公司 2022-06-17 CN disclosed
CN-112812118-A Preparation and application of protein receptor kinase inhibitor 上海轶诺药业有限公司 2021-05-18 CN disclosed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 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 (3 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CHRNB2 4530/4885CHRNA4 4734/4885CHRNB4 4724/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT CHRNB2 4530/4885CHRNA4 4734/4885CHRNB4 4724/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT CHRNB2 4530/4885CHRNA4 4734/4885CHRNB4 4724/4885

“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.