SCHEMBL8828565

SCHEMBL8828565

Cc1ccccc1N1CCN(CCCN)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
ADRA1B P35368 3/20 0.58
ADRA1A P35348 3/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
ADRA1D P25100 2/20 0.55
HTR7 P34969 3/20 0.54
HTR1A P08908 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL3200107 0.95 ADRA1B (0.60) CYP2D6ADRA1BADRA1ADRD2DRD3
SCHEMBL10730439 0.90 ALDH1A1 (0.63) ADRA1BADRA1ADRD2DRD3ADRA1D
SCHEMBL4249377 0.88 ALDH1A1 (0.63) CYP2D6ADRA1BADRA1ADRD2DRD3
Hydrochloric Acid SCHEMBL12099351 0.86 ALDH1A1 (0.62) CYP2D6ADRA1BADRA1ADRD2DRD3
SCHEMBL21009569 0.84 ADRA1B (0.58) ADRA1BADRA1ADRD2DRD3ADRA1D
SCHEMBL11795230 0.84 ADRA1A (0.59) ADRA1BADRA1ADRD2DRD3ADRA1D
SCHEMBL3198516 0.83 ALDH1A1 (0.62) ADRA1BADRA1ADRD2DRD3ADRA1D
SCHEMBL8828427 0.83 HTR1A (0.58) CYP2D6DRD2HTR7HTR1ASIGMAR1
SCHEMBL8828449 0.83 DRD2 (0.59) CYP2D6DRD2DRD3HTR1ASIGMAR1
SCHEMBL7972648 0.82 CYP2D6 (0.63) CYP2D6SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828352-B2 Phenyl carbamates and their use as inhibitors of the fatty acid amide hydrolase (FAAH) enzyme and modulators of the D3 dopamine receptor (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-11-28 US disclosed
EP-3022179-B1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FOND ST ITALIANO TECNOLOGIA (IT) 2017-11-15 EP disclosed
EP-3022179-B1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FOND ST ITALIANO TECNOLOGIA (IT) 2017-11-15 EP disclosed
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-07 US disclosed
EP-3022179-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) Fondazione Istituto Italiano Di Tecnologia (IT) 2016-05-25 EP disclosed
WO-2015007615-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed
WO-2015007615-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed
US-4067982-A LOWERING BLOOD PRESSURE, ANALGESIC, SEDATIVE, ANTIHISTAMINE Gulden, Byk (DT) 1978-01-10 US disclosed
US-3957786-A HYPOTENSIVE AGENTS BYK GULDEN (DT) 1976-05-18 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 (1 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-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FAAH, FAAH2, FFAR3 CYP2D6 266/4885ADRA1B 284/4885ADRA1A 262/4885

“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.