SCHEMBL70633

SCHEMBL70633

CC(C)c1ccc2c(c1)OCCN2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.41
AR P10275 1/20 0.40
HDAC4 P56524 2/20 0.39
PDE10A Q9Y233 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL69983 0.88 TDP1 (0.51) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL13392140 0.83 TDP1 (0.38) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL22021167 0.83 CYP11B1 (0.47) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL21024353 0.82 TDP1 (0.47) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL14349188 0.82 TDP1 (0.41) TDP1CYP11B1CYP11B2NOTUMKDM5B
SCHEMBL13407387 0.81 TDP1 (0.46) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL15341897 0.80 CYP11B1 (0.53) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL14349663 0.80 NR3C1 (0.40) TDP1ALDH1A1ARPTGS1PTGS2
SCHEMBL23053340 0.79 USP9X (0.45) TDP1CYP11B1CYP11B2NOTUMALDH1A1
SCHEMBL154510 0.77 CYP11B1 (0.52) TDP1CYP11B1CYP11B2NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2022-05-19 US disclosed
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 US disclosed
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
WO-2008144266-A1 SPIROINDALONES MERCK & CO., INC. (US) 2008-11-27 WO disclosed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (12 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 TDP1 94/4885CYP11B1 4419/4885CYP11B2 4392/4885
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 TDP1 3629/4885CYP11B1 1810/4885CYP11B2 2086/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 TDP1 3629/4885CYP11B1 1810/4885CYP11B2 2086/4885
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, VHL TDP1 592/4885CYP11B1 4292/4885CYP11B2 4191/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TDP1 1034/4885CYP11B1 1168/4885CYP11B2 1579/4885
US-11345713-B2 Compounds as modulators of TLR2 signaling TLR2, TLR4, TLR3 TDP1 1563/4885CYP11B1 4665/4885CYP11B2 4561/4885
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors KDM1A, KDM1B, KDM2A TDP1 345/4885CYP11B1 3394/4885CYP11B2 3927/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 TDP1 3696/4885CYP11B1 649/4885CYP11B2 677/4885
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 TDP1 1563/4885CYP11B1 4665/4885CYP11B2 4561/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 TDP1 1873/4885CYP11B1 1558/4885CYP11B2 2629/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TDP1 4683/4885CYP11B1 2879/4885CYP11B2 2558/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 TDP1 1059/4885CYP11B1 2611/4885CYP11B2 3086/4885

“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.