SCHEMBL15096889

SCHEMBL15096889

c1ccc(C2CNCc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 1.00
MEN1 O00255 1/20 1.00
CYP2D6 P10635 1/20 1.00
KMT2A Q03164 1/20 1.00
TAAR1 Q96RJ0 1/20 0.67
HTR2A P28223 1/20 0.57
DRD1 P21728 8/20 0.56
DRD2 P14416 4/20 0.56
KIF11 P52732 1/20 0.53
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
DRD5 P21918 2/20 0.47
MAPT P10636 2/20 0.47
ADCY6 O43306 1/20 0.47
ADCY3 O60266 1/20 0.47
ADCY9 O60503 1/20 0.47
ADCY5 O95622 1/20 0.47
ADCY8 P40145 1/20 0.47
ADCY7 P51828 1/20 0.47

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
SCHEMBL1076323 1.00 CYP3A4 (1.00) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL980093 0.86 MEN1 (0.75) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL19164320 0.82 MEN1 (0.69) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL27404902 0.82 CYP3A4 (0.69) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL3258819 0.81 MEN1 (0.69) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL3258817 0.81 MEN1 (0.69) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL2566292 0.81 TAAR1 (0.97) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL22461447 0.80 CYP3A4 (0.66) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL22445693 0.80 CYP3A4 (0.66) CYP3A4MEN1CYP2D6KMT2ATAAR1
SCHEMBL22445614 0.80 DRD1 (0.68) CYP3A4MEN1CYP2D6KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020191151-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2020-09-24 WO disclosed
EP-2620428-B1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES LTD (SG) 2019-05-22 EP disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
CN-101268054-B Substituted 4-phenyltetrahydroisoquinolines, process for their production, their use as medicaments and medicaments comprising them SANOFI AVENTIS 2012-08-22 CN disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
CN-101023060-A Substituted 4-phenyltetrahydroisoquinolines, method for the production thereof, their use as a medicament, and a medicament containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-22 CN disclosed
CN-1798737-A Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA GMBH (DE) 2006-07-05 CN disclosed
US-20050003558-A1 Biological sample component purification and differential display CHIRON CORPORATION (US) 2005-01-06 US disclosed
US-6783929-B1 COMPRISES POLYAMIDE LIGANDS FOR ENHANCED EFFICIENCY OF PROTEOMICS CHIRON CORPORATION 2004-08-31 US disclosed
CN-1452623-A 4-phenyl substd. tetrahydroisoquinolines and therapeutic use thereof ALBANY MOLECULE RES INC (US) 2003-10-29 CN 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 (4 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-20130178612-A1 CHIRAL AUXILIARIES POLL, PCNA, POLM CYP3A4 2809/4885MEN1 1259/4885CYP2D6 1627/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS CYP3A4 3746/4885MEN1 3426/4885CYP2D6 4323/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CYP3A4 2407/4885MEN1 2624/4885CYP2D6 1823/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS CYP3A4 4002/4885MEN1 2224/4885CYP2D6 4202/4885

“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.