SCHEMBL273985

SCHEMBL273985

CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 1.00
DRD3 P35462 6/20 1.00
DRD4 P21917 5/20 1.00
HTR1A P08908 4/20 1.00
MEN1 O00255 2/20 1.00
CYP1A2 P05177 2/20 1.00
HTR5A P47898 2/20 1.00
KMT2A Q03164 2/20 1.00
TSHR P16473 1/20 1.00
CYP2D6 P10635 1/20 0.58
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56

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
SCHEMBL29389256 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL29766823 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9358749 0.99 DRD2 (0.97) DRD2DRD3DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9309640 0.99 DRD2 (0.97) DRD2DRD3DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9306802 0.99 DRD2 (0.97) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL11267208 0.94 DRD2 (0.88) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL11267207 0.94 DRD2 (0.88) DRD2DRD3DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9307503 0.93 DRD2 (0.86) DRD2DRD3DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9307498 0.93 DRD2 (0.86) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL9559065 0.92 DRD2 (0.84) DRD2DRD3DRD4HTR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-RE43244-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-RE42802-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2011-10-04 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-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-2098511-A1 Process for preparing compounds containing a hydronaphtalene structure with an unsymmetrically substituted benzene ring Solvias AG (CH) 2009-09-09 EP disclosed
US-6998405-B2 Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia H. LUNDBECK A/S (DK) 2006-02-14 US disclosed
EP-1274411-B1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE LUNDBECK & CO AS H (DK) 2005-07-27 EP disclosed
US-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use AXON BIOCHEMICALS B.V. (NL) 2004-07-15 US disclosed
US-6683087-B2 TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION AXON BIOCHEMICALS B.V. (NL) 2004-01-27 US disclosed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 US disclosed
EP-0641320-B1 SUBSTITUTED (S)-3-PHENYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR ANTAGONISTS UPJOHN CO (US) 2001-05-30 EP disclosed
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 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 (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-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B DRD2 9/4885DRD3 18/4885DRD4 38/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS DRD2 4030/4885DRD3 3548/4885DRD4 3345/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B DRD2 9/4885DRD3 18/4885DRD4 40/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS DRD2 4394/4885DRD3 3965/4885DRD4 4040/4885

“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.