Sugi Predict

Sugi Predict / Compounds / SCHEMBL985333

SCHEMBL985333

SCHEMBL985333

CC(C)(C)OC(=O)N1CCc2ccoc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.51
▸ NR1H2 P55055 1/20 0.50
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ STS P08842 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL2732372 0.90 ESR2 (0.56) ESR2NR1H2USP2SMN1; SMN2ALDH1A1
SCHEMBL5542914 0.90 ESR2 (0.56) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL8438124 0.82 ESR2 (0.48) ESR2NR1H2USP2SMN1; SMN2MEN1
SCHEMBL507146 0.79 NR1H2 (0.61) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL8802881 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL986907 0.75 ESR2 (0.49) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL719713 0.73 NR1H2 (0.62) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL3005376 0.72 ESR2 (0.52) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL2132877 0.72 ESR2 (0.84) ESR2NR1H2USP2SMN1; SMN2GPR119
SCHEMBL7868104 0.72 ESR2 (0.63) ESR2NR1H2USP2SMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 — — EP disclosed
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 — — EP disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 — — US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 — — US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 — — US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 — — US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 — — US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 — — US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 — — EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — US disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 — — US disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 — — US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 — — CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 — — EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 — — 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 (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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 ESR2 958/4885NR1H2 485/4885USP2 2379/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 ESR2 1577/4885NR1H2 3934/4885USP2 1322/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ESR2 1577/4885NR1H2 3934/4885USP2 1322/4885

“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.