SCHEMBL596038

SCHEMBL596038

COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
GALR3 O60755 1/20 0.60
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SIRT6 Q8N6T7 1/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL14712107 0.92 MAPT (0.85) MAPTGALR3ALDH1A1POLBCYP2C9
SCHEMBL14711312 0.92 MAPT (0.85) MAPTGALR3ALDH1A1POLBCYP2C9
SCHEMBL3710202 0.86 MAPT (0.75) MAPTGALR3ALDH1A1SIRT6LMNA
SCHEMBL25170637 0.85 MAPT (0.74) MAPTGALR3ALDH1A1POLBCYP2C9
SCHEMBL27774 0.85 MAPT (1.00) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL14711628 0.84 MAPT (0.73) MAPTGALR3ALDH1A1POLBSIRT6
SCHEMBL14711243 0.84 MAPT (0.73) MAPTGALR3ALDH1A1POLBSIRT6
SCHEMBL15896472 0.84 MAPT (0.72) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL27881 0.82 MAPT (0.70) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL3567192 0.82 MAPT (0.70) MAPTGALR3ALDH1A1POLBCYP2C9

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2018-08-21 US disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
WO-2012167733-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-12-13 WO disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (6 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885GALR3 1897/4885ALDH1A1 573/4885
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN MAPT 3903/4885GALR3 1861/4885ALDH1A1 3552/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885GALR3 1897/4885ALDH1A1 573/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885GALR3 1897/4885ALDH1A1 573/4885
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors SYK, BTK, TYRO3 MAPT 4026/4885GALR3 2136/4885ALDH1A1 3272/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885GALR3 1897/4885ALDH1A1 573/4885

“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.