SCHEMBL4415549

SCHEMBL4415549

CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
TSHR P16473 3/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GRM5 P41594 1/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL4139808 0.89 GRM5 (0.69) LMNATSHRHTTALDH1A1MEN1
SCHEMBL4139816 0.89 GRM5 (0.69) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2030060 0.85 TSHR (0.72) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2024913 0.84 TSHR (0.73) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2026741 0.84 TSHR (0.64) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2030079 0.84 RAB9A (0.61) LMNATSHRHTTALDH1A1MEN1
SCHEMBL1653518 0.83 TUBB4A (0.60) LMNATSHR
SCHEMBL12580577 0.83 GRM5 (0.66) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL390646 0.82 GPR119 (0.67) LMNATSHRHTT
SCHEMBL2026830 0.82 TSHR (0.68) LMNATSHRHTTALDH1A1MEN1

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
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US claimed
CN-116178361-A Preparation of piperidine bisoxadiazole and piperidine amino thiazole substituted antitumor curcumenol derivatives and application thereof in antitumor 华东理工大学 2023-05-30 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
WO-2008003861-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2008-01-10 WO disclosed
WO-2000020414-A9 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM INC (US) 2002-08-22 WO disclosed
US-6107313-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS COMBICHEM, INC. (US) 2000-08-22 US disclosed
WO-2000020414-A1 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM, INC. (US) 2000-04-13 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 (2 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 LMNA 4210/4885TSHR 222/4885HTT 3646/4885
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP LMNA 1439/4885TSHR 2305/4885HTT 3580/4885

“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.