SCHEMBL6413372

SCHEMBL6413372

O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
MAPT P10636 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
CYP19A1 P11511 2/20 0.51
CYP26A1 O43174 6/20 0.50
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP24A1 Q07973 1/20 0.44
HTR1A P08908 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL29351105 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL22589709 0.99 ALDH1A1 (0.98) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29393982 0.99 ALDH1A1 (0.98) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7706186 0.89 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL29393503 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL8583021 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9136732 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL29367407 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL29391674 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL9445110 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858649-B1 TREATMENT OF MOTOR AND MOVEMENT DISORDER SIDE EFFECTS ASSOCIATED WITH PARKINSON'S DISEASE TREATMENTS PSYCHOGENICS INC (US) 2019-10-23 EP claimed
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
EP-2858649-A2 TREATMENT OF MOTOR AND MOVEMENT DISORDER SIDE EFFECTS ASSOCIATED WITH PARKINSON'S DISEASE TREATMENTS Psychogenics Inc. (US) 2015-04-15 EP disclosed
WO-2013188210-A2 TREATMENT OF MOTOR AND MOVEMENT DISORDER SIDE EFFECTS ASSOCIATED WITH PARKINSON'S DISEASE TREATMENTS PSYCHOGENICS, INC. (US) 2013-12-19 WO 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-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-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-1485707-B1 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS CAPROTEC BIOANALYTICS GMBH (DE) 2009-01-14 EP disclosed
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds NITROMED, INC. (US) 2005-08-25 US disclosed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 US disclosed
US-6162455-A Method for increasing lean meat, improving the lean meat to fat ratio and improving amino acid utilization in warm-blooded animals AMERICAN CYANAMID COMPANY (US) 2000-12-19 US disclosed
US-5994294-A Nitrosated and nitrosylated α-adrenergic receptor antagonist compounds, compositions and their uses NITROMED, INC. (US) 1999-11-30 US 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-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds ADRB1, ADRB3, ADRA1D ALDH1A1 628/4885SMN1; SMN2 1602/4885TP53 2341/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS ALDH1A1 4360/4885SMN1; SMN2 4623/4885TP53 1648/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D ALDH1A1 610/4885SMN1; SMN2 1516/4885TP53 2595/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS ALDH1A1 4064/4885SMN1; SMN2 3130/4885TP53 1173/4885

“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.