Sugi Predict

Sugi Predict / Compounds / SCHEMBL493570

SCHEMBL493570

SCHEMBL493570

COc1ccc(CN2CCC(C=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PTGIR P43119 1/20 0.52
▸ ACHE P22303 4/20 0.50
▸ BACE1 P56817 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL8669489 0.85 SIGMAR1 (0.67) SIGMAR1OPRM1
SCHEMBL14198701 0.83 KDM4E (0.57) SIGMAR1MEN1KMT2APTGIR
SCHEMBL28546641 0.83 SIGMAR1 (0.63) SIGMAR1MEN1KMT2AACHECHRM2
SCHEMBL30443457 0.83 SIGMAR1 (0.63) SIGMAR1MEN1KMT2AACHECHRM2
SCHEMBL21089238 0.83 ALDH1A1 (0.54) MEN1KMT2AACHEBACE1OPRM1
SCHEMBL8320248 0.81 HRH3 (0.69) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL28538945 0.81 HDAC1 (0.59) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL12814093 0.80 KDM4E (0.64) SMN1; SMN2MEN1KMT2A
SCHEMBL18817637 0.80 SIGMAR1 (0.49) SIGMAR1
SCHEMBL18845513 0.80 HDAC8 (0.47) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 — — CN disclosed
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 — — CN disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 — — EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 — — US disclosed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 — — US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 — — EP disclosed
EP-1833817-B1 SYNTHESIS OF CCR5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-10-13 — — EP disclosed
US-7728135-B2 Synthesis of CCR5 receptor antagonists SCHERING CORPORATION (US) 2010-06-01 — — US disclosed
EP-1591444-B1 CCR5 antagonists useful for treating aids SCHERING CORP (US) 2010-04-28 — — EP disclosed
US-20100063280-A1 PROCESS FOR PREPARING CCR-5 RECEPTOR ANTAGONISTS UTILIZING 4-SUBSTITUTED 1-CYCLOPROPANE-SULFONYL-PIPERIDINYL COMPOUNDS SCHERING CORPORATION 2010-03-11 — — US disclosed
US-20100036125-A1 SYNTHESIS OF CCR5 RECEPTOR ANTAGONISTS SCHERING CORPORATION 2010-02-11 — — US disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 — — EP disclosed
US-7659275-B2 treatment of HIV, solid organ transplant rejection, graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis SCHERING CORPORATION (US) 2010-02-09 — — US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 — — US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 — — US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — WO disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — 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 (5 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-20100063280-A1 PROCESS FOR PREPARING CCR-5 RECEPTOR ANTAGONISTS UTILIZING 4-SUBSTITUTED 1-CYCLOPROPANE-SULFONYL-PIPERIDINYL COMPOUNDS CCR5, CCR4, CCR1 SIGMAR1 1259/4885SMN1; SMN2 2832/4885MEN1 4618/4885
US-20100036125-A1 SYNTHESIS OF CCR5 RECEPTOR ANTAGONISTS CCR5, CXCR4, CCR2 SIGMAR1 170/4885SMN1; SMN2 4634/4885MEN1 4078/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 SIGMAR1 114/4885SMN1; SMN2 3488/4885MEN1 2811/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SIGMAR1 84/4885SMN1; SMN2 1729/4885MEN1 4132/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A SIGMAR1 78/4885SMN1; SMN2 48/4885MEN1 4243/4885

“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.