SCHEMBL1689635

SCHEMBL1689635

BrCC1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
PLAU P00749 1/20 0.50
HTR1A P08908 3/20 0.49
SIGMAR1 Q99720 2/20 0.49
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
GRIN2B Q13224 3/20 0.43
GBA1 P04062 1/20 0.43
ANPEP P15144 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PREP P48147 1/20 0.40

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
SCHEMBL6406079 0.84 IDO1 (0.47) CYP19A1PLAUSIGMAR1
SCHEMBL6427595 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL6570371 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL27278343 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL15701675 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL6427588 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL9935276 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL1689733 0.79 PLAU (0.55) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL6428907 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL599314 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-11 US disclosed
US-9045459-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-02 US disclosed
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-6602888-B2 Binds to a human alpha 1C adrenergic receptor with a binding affinity greater than ten-fold higher than the binding affinity with which the compound binds to a human alpha 1A adrenergic receptor SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-05 US disclosed
US-20030022900-A1 Compositions comprising alpha-1C specific compounds SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
US-6015819-A ADMINISTERING ADRENERGIC BLOCKING AGENT; REDUCTION OF ORTHOSTATIC FALL IN BLOOD PRESSURE SIDE EFFECT; FDA ORANGE BOOK LISTED PATENT FOR SILODOSIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-01-18 US disclosed
US-5990128-A ADMINISTERING AN ANTAGONIST THAT BINDS TO A HUMAN ALPHA-1C ADRENERGIC RECEPTOR WITH A BINDING AFFINITY AT LEAST 691-FOLD HIGHER THAN THE BINDING AFFINITY WITH WHICH THE ANTAGONIST BINDS TO A HUMAN ALPHA-1B ADRENERGIC RECEPTOR SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-11-23 US disclosed
EP-0758894-A4 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMA CORP (US) 1999-05-19 EP disclosed
US-5780485-A ADMINISTERING ADRENERGIC BLOCKING AGENT; SIDE EFFECT REDUCTION; FDA ORANGE BOOK LISTED PATENT FOR SILODOSIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-07-14 US disclosed
EP-0667769-A4 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA. SYNAPTIC PHARMA CORP (US) 1998-02-04 EP disclosed
EP-0758894-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-02-26 EP disclosed
US-5578611-A ANTITUMOR AGENTS AND PROSTATE TUMOR DETECTION BY BINDING HUMAN ALPHA-ADRENERGIC RECEPTOR AND HISTAMINE H1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-11-26 US disclosed
US-5508306-A USED FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE AND INHIBITING CHOLESTEROL SYNTHESIS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
WO-1995028157-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-10-26 WO disclosed
EP-0667769-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-08-23 EP disclosed
US-5403847-A Administering a therapeutic amount of a compound which binds to a human alpha 1c adrenergic receptor; FDA Orange book listed patent for silodosin SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-04-04 US disclosed
WO-1994010989-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-05-26 WO disclosed
US-4705871-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-11-10 US disclosed
US-4644071-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-02-17 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-20030022900-A1 Compositions comprising alpha-1C specific compounds ADRB1, ADRA1B, ADRA1A CYP19A1 604/4885PLAU 3204/4885HTR1A 26/4885
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT CYP19A1 3570/4885PLAU 2342/4885HTR1A 478/4885
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA ADRB1, ADRA1B, ADRA1A CYP19A1 670/4885PLAU 2412/4885HTR1A 21/4885
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT CYP19A1 3570/4885PLAU 2342/4885HTR1A 478/4885

“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.