SCHEMBL6375436

SCHEMBL6375436

COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 1.00
ADRA1B P35368 4/20 1.00
ADRA1D P25100 3/20 1.00
CYP3A4 P08684 2/20 1.00
ADRA2A P08913 2/20 1.00
ADRA2B P18089 2/20 1.00
ADRA2C P18825 2/20 1.00
PMP22 Q01453 2/20 1.00
HIF1A Q16665 1/20 1.00
HTR1A P08908 6/20 0.68
DRD2 P14416 5/20 0.68
DRD3 P35462 3/20 0.68
MAPT P10636 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
LMNA P02545 1/20 0.68
ADRB2 P07550 1/20 0.68
ADRB1 P08588 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68

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
SCHEMBL7799623 0.91 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7801653 0.88 ADRA1A (0.79) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL8053702 0.86 ADRA1A (0.76) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7793938 0.86 ADRA1A (0.75) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7801661 0.86 ADRA1A (0.75) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7799617 0.85 ADRA1B (0.74) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803792 0.85 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803666 0.85 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL8053704 0.85 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803659 0.85 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192319-A1 CHEMOKINE RECEPTORS AND ALPHA1 ADRENERGIC RECEPTORS/VASOPRESSIN RECEPTORS 1A HETEROMERS AS DRUG TARGETS FOR DISEASE UNIVERSITY OF SOUTH FLORIDA (US) 2023-10-05 WO claimed
EP-0513058-A1 USE OF KNOWN URACILES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROTECTION FROM AND TREATMENT OF DISEASES INVOLVING PROLIFERATIVE PROCESSES. BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-11-19 EP claimed
WO-1991011185-A1 USE OF URAPIDILE AND DERIVATIVES FOR TREATING ARTERIOSCLEROTIC DISEASES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-08-08 WO claimed
WO-2023192319-A1 CHEMOKINE RECEPTORS AND ALPHA1 ADRENERGIC RECEPTORS/VASOPRESSIN RECEPTORS 1A HETEROMERS AS DRUG TARGETS FOR DISEASE UNIVERSITY OF SOUTH FLORIDA (US) 2023-10-05 WO disclosed
WO-2023129857-A1 METHODS OF TREATING, AMELIORATING, AND/OR PREVENTING STRESS-RELATED DISORDER YALE UNIVERSITY (US) 2023-07-06 WO disclosed
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them UNIAO BRASILIENSE DE EDUCACAO E CULTURA-UBEC (BR) 2007-09-20 US disclosed
US-20050261214-A1 Complexes for transferring substances of interest into a cell TRANSGENE S.A. (FR) 2005-11-24 US disclosed
EP-1389182-A1 COMPLEXES FOR TRANSFERRING SUBSTANCES OF INTEREST INTO A CELL TRANSGENE S.A. (FR) 2004-02-18 EP disclosed
WO-2002092554-A1 COMPLEXES FOR TRANSFERRING SUBSTANCES OF INTEREST INTO A CELL TRANSGENE S.A. (FR) 2002-11-21 WO disclosed
EP-0689547-A4 CLONED HUMAN ALPHA1C ADRENERGIC RECEPTOR MERCK & CO INC (US) 1998-10-28 EP disclosed
EP-0689547-A1 CLONED HUMAN ALPHA1C ADRENERGIC RECEPTOR MERCK & CO. INC. (US) 1996-01-03 EP disclosed
WO-1994021660-A1 CLONED HUMAN ALPHA1C ADRENERGIC RECEPTOR MERCK & CO., INC. (US) 1994-09-29 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 (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-20050261214-A1 Complexes for transferring substances of interest into a cell CD44, EPCAM, ANXA3 ADRA1A 4309/4885ADRA1B 3765/4885ADRA1D 4458/4885
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them ADRA1D, ADRB1, ADRA1A ADRA1A 3/4885ADRA1B 4/4885ADRA1D 1/4885

“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.