SCHEMBL69977

SCHEMBL69977

CC(C)c1ccc2c(c1)NCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
KIF11 P52732 1/20 0.33
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL71443 0.85 LMNA (0.34) MAPTALDH1A1GAAHSD17B10LMNA
SCHEMBL70215 0.82 ALDH1A1 (0.62) MAPTALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL14924059 0.80 MAPT (0.50) MAPTALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL13392166 0.76 HPGD (0.43) MAPTHSD17B10LMNASMN1; SMN2PTGS1
SCHEMBL20611608 0.75 MEN1 (0.36) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL8348569 0.75 HSD17B10 (0.67) MAPTALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL24817874 0.74 TAAR1 (0.41) MAPTALDH1A1GAAHSD17B10
SCHEMBL21779696 0.73 HPGD (0.37) MAPTHSD17B10LMNASMN1; SMN2PTGS1
SCHEMBL9918337 0.73 MMP12 (0.41) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9920485 0.73 MMP12 (0.64) MAPTALDH1A1GAALMNASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (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-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 MAPT 3629/4885ALDH1A1 337/4885GAA 4405/4885
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MAPT 800/4885ALDH1A1 2621/4885GAA 1942/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3211/4885ALDH1A1 4801/4885GAA 4463/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 MAPT 3592/4885ALDH1A1 2009/4885GAA 3780/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3211/4885ALDH1A1 4801/4885GAA 4463/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 MAPT 3592/4885ALDH1A1 2009/4885GAA 3780/4885

“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.