SCHEMBL125129

SCHEMBL125129

CC(C)(C)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
IDO1 P14902 2/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.46
LTA4H P09960 1/20 0.46
RIPK1 Q13546 1/20 0.46
ATM Q13315 1/20 0.45
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RAB9A P51151 1/20 0.43

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
Hydrochloric Acid SCHEMBL538794 0.98 CYP3A4 (0.56) CYP3A4MAPTKDM4EIDO1THRB
Water SCHEMBL13583453 0.98 CYP3A4 (0.56) CYP3A4MAPTKDM4EIDO1THRB
Iodide SCHEMBL4994541 0.98 CYP3A4 (0.50) CYP3A4MAPTKDM4EIDO1THRB
Bromide SCHEMBL11038149 0.98 CYP3A4 (0.50) CYP3A4MAPTKDM4EIDO1THRB
SCHEMBL5839383 0.87 LTA4H (0.46) CYP3A4MAPTKDM4ELMNALTA4H
SCHEMBL13958950 0.87 RAB9A (0.59) MAPTIDO1MEN1KMT2ACYP2D6
SCHEMBL13958852 0.83 BCHE (0.69) MAPTMEN1KMT2ALMNAATM
SCHEMBL14433569 0.83 PRMT6 (0.42) CYP3A4MAPTKDM4EKMT2ALMNA
SCHEMBL14145021 0.83 CYP3A4 (0.50) CYP3A4MAPTKDM4EIDO1THRB
SCHEMBL13958886 0.82 FFAR1 (0.46) MAPTCYP2D6LTA4HHTTRAB9A

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

Appears in 2438 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353949-A1 ONE-COMPONENT BURN-IN SYSTEM COVESTRO DEUTSCHLAND AG (DE) 2025-11-20 US claimed
US-20250297054-A1 BLOCKED POLYISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2025-09-25 US claimed
EP-4559946-A1 BLOCKED POLYISOCYANATES Covestro Deutschland AG (DE) 2025-05-28 EP claimed
CN-120025524-A Blocked polyisocyanates 科思创德国股份有限公司 2025-05-23 CN claimed
US-20250163207-A1 BLOCKED POLYISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2025-05-22 US claimed
WO-2025089950-A1 PROCESS FOR REMOVING CO2 FROM GAS CARBONORO TECHNOLOGY B.V. (NL) 2025-05-01 WO claimed
CN-119898789-A Flower-like sphere mordenite as well as preparation method and application thereof 中国石油化工股份有限公司 2025-04-29 CN claimed
EP-4532582-A1 ONE-COMPONENT BURN-IN SYSTEM Covestro Deutschland AG (DE) 2025-04-09 EP claimed
EP-4532581-A1 BLOCKED POLYISOCYANATES Covestro Deutschland AG (DE) 2025-04-09 EP claimed
CN-119707716-A Preparation method of salbutamol 浙江雅辰药物科技股份有限公司 2025-03-28 CN claimed
US-5504253-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1996-04-02 US claimed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO claimed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US claimed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP claimed
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US claimed
EP-0160634-B1 METAL COMPLEXES USEFUL AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1989-07-05 EP claimed
US-4658005-A Storage-stabile polyurethane resin powder enamels or varnishes HULS AKTIENGESELLSCHAFT (DE) 1987-04-14 US claimed
US-4654271-A ORGANIC THIOSULFATE, NICKEL OR COBALT, AMINE MONSANTO EUROPE, S. A. (BE) 1987-03-31 US claimed
EP-0160634-A2 Metal complexes useful as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-11-06 EP claimed
EP-0058072-A2 Process and intermediates for preparing pirbuterol and analogs PFIZER INC. (US) 1982-08-18 EP claimed