SCHEMBL904449

SCHEMBL904449

BrCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.60
HTR2A P28223 6/20 0.60
SIGMAR1 Q99720 3/20 0.55
TAAR1 Q96RJ0 1/20 0.44
CYP19A1 P11511 3/20 0.43
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
CASR P41180 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
SCHEMBL8120558 0.93 SIGMAR1 (0.59) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL7199600 0.91 SIGMAR1 (0.57) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL2172475 0.84 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1KCNH2
SCHEMBL9073997 0.84 HRH1 (0.71) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL30171026 0.82 HRH1 (0.54) HRH1HTR2ASIGMAR1TAAR1KCNH2
SCHEMBL8907610 0.81 RIPK1 (0.53) LMNA
SCHEMBL2710461 0.81 HTR2A (0.40) HRH1HTR2ASIGMAR1TAAR1
SCHEMBL16426377 0.79 HTR2A (0.39) HRH1HTR2ASIGMAR1TAAR1
SCHEMBL3618081 0.79 RIPK1 (0.53) HRH1HTR2ASIGMAR1TAAR1
SCHEMBL5864161 0.79 CYP19A1 (0.47) HRH1HTR2ACYP19A1HTR1AADORA3

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
US-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US disclosed
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed
US-6599940-B2 Neurotransmitters GEORGETOWN UNIVERSITY 2003-07-29 US disclosed
US-20020147362-A1 Synthesis of 2-Hydroxymethylglutamic acid and congeners thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002022622-A2 SYNTHESIS OF 2-HYDROXYMETHYLGLUTAMIC ACID AND CONGENERS THEREOF GEORGETOWN UNIVERSITY (US) 2002-03-21 WO disclosed
US-5932573-A Substituted quinolines and isoquinolines as calcium channel blockers, their preparation and the use thereof WARNER-LAMBERT COMPANY (US) 1999-08-03 US disclosed
EP-0656345-B1 Aspartic acid derivatives or homologues thereof and their use in the treatment of neurological diseases UNIV PASTEUR (FR) 1999-03-10 EP disclosed
US-5767129-A TREATING CEREBROVASCULAR DISORDERS, PAIN, CEREBRAL ISCHEMIA WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5739164-A BLOCK METABOTROPIC GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 1998-04-14 US disclosed
US-5589501-A TREATMENT OF NEUROLOGICAL DISEASES, ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC AND ANTIEMETIC AGENT ELI LILLY AND COMPANY (US) 1996-12-31 US disclosed
EP-0656345-A1 Aspartic acid derivatives or homologues thereof and their use in the treatment of neurological diseases Université Louis Pasteur (FR) 1995-06-07 EP 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-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 HRH1 100/4885HTR2A 70/4885SIGMAR1 1039/4885
US-20020147362-A1 Synthesis of 2-Hydroxymethylglutamic acid and congeners thereof OGDH, FPGS, GGCT HRH1 3892/4885HTR2A 1050/4885SIGMAR1 4876/4885

“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.