SCHEMBL12405293

SCHEMBL12405293

NCc1ccc2c(c1)N(Cc1c[nH]cn1)CCO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GRM5 P41594 1/20 0.33
RORC P51449 4/20 0.33
REN P00797 1/20 0.32
AR P10275 1/20 0.31
NCF1 P14598 1/20 0.31
NSD2 O96028 1/20 0.31
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL12405021 0.88 HDAC1 (0.37) HDAC1HDAC6GRM5RORCAR
SCHEMBL12405273 0.86 HDAC1 (0.36) HDAC1HDAC6GRM5RORCAR
SCHEMBL12405566 0.86 GRM5 (0.37) HDAC1HDAC6GRM5RORC
SCHEMBL12404723 0.86 HDAC1 (0.38) HDAC1HDAC6GRM5RENAR
SCHEMBL13212378 0.85 PIK3CD (0.42) HDAC1HDAC6GRM5RORCNCF1
SCHEMBL12405640 0.84 SLC22A12 (0.38) HDAC1HDAC6GRM5RORCAR
SCHEMBL12404722 0.83 NPY5R (0.39) HDAC1HDAC6GRM5
SCHEMBL12404728 0.83 HDAC1 (0.38) HDAC1HDAC6GRM5REN
SCHEMBL12404726 0.83 HDAC1 (0.38) HDAC1HDAC6GRM5
SCHEMBL12404736 0.83 HDAC1 (0.52) HDAC1HDAC6GRM5AR

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
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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 (3 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A HDAC1 3568/4885HDAC6 3293/4885GRM5 547/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A HDAC1 3568/4885HDAC6 3293/4885GRM5 547/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A HDAC1 3568/4885HDAC6 3293/4885GRM5 547/4885

“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.