SCHEMBL1049645

SCHEMBL1049645

CC(C)(C)Oc1ccc(CCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.61
MAOB P27338 3/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
BACE1 P56817 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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 SCHEMBL14157305 0.98 TAAR1 (0.59) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL31370720 0.88 TAAR1 (0.47) TAAR1MAOB
SCHEMBL16573358 0.84 TAAR1 (0.57) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL21117412 0.84 TAAR1 (0.57) TAAR1MAOBCYP1A2CYP2A6KDM4E
SCHEMBL2369731 0.83 ST14 (0.50) TAAR1MAOB
SCHEMBL23963130 0.82 TAAR1 (0.50) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL23963316 0.81 TAAR1 (0.53) TAAR1MAOBCYP1A2CYP2A6KDM4E
SCHEMBL14998990 0.81 PPARA (0.44) TAAR1MAOBALDH1A1SLC6A2
SCHEMBL91178 0.81 THRB (0.46) TAAR1ALDH1A1
SCHEMBL1352650 0.80 TAAR1 (0.52) TAAR1MAOBCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
EP-2318126-B1 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE UNIV TEXAS (US) 2018-08-22 EP disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-8017050-B2 Water purification membranes with improved fouling resistance BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-09-13 US disclosed
EP-2318126-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-11 EP disclosed
WO-2011005258-A1 POLYMER DEPOSITION AND MODIFICATION OF MEMBRANES FOR FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-01-13 WO disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
US-20100059433-A1 POLYMER DEPOSITION AND MODIFICATION OF MEMBRANES FOR FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-03-11 US disclosed
US-20100051538-A1 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-03-04 US disclosed
WO-2010006196-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 WO disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 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-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 TAAR1 1867/4885MAOB 3572/4885CYP1A2 602/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885MAOB 2175/4885CYP1A2 1281/4885

“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.