SCHEMBL506595

SCHEMBL506595

C=CCOc1ccc(C#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.38
FFAR1 O14842 1/20 0.37
AR P10275 1/20 0.36
ESRRA P11474 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL15109876 0.79 GAA (0.63) ALDH1A1HPGDGAATSHRKDM4E
SCHEMBL21728097 0.79 AR (0.44) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL28128710 0.78 ALDH1A1 (0.40) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL28857557 0.78 HPGD (0.40) ALDH1A1HPGDGAATSHRHTT
SCHEMBL15024950 0.78 PTGDR2 (0.43) MEN1KMT2AHTTFFAR1AR
SCHEMBL944720 0.78 TRPV4 (0.53) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL2322279 0.78 HPGD (0.59) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL6550839 0.77 TRPV4 (0.38) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL1488884 0.77 MRGPRX4 (0.50) ESRRAPTGDR2
SCHEMBL29886939 0.75 FFAR1 (0.40) ALDH1A1HPGDMEN1KMT2AHTT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
EP-3344604-B1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-11-04 EP disclosed
CN-106478500-B Carboxylic acid substituted (hetero) aromatic ring derivatives, and preparation method and application thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 US disclosed
EP-3344604-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-11 EP disclosed
WO-2017036404-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-09 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ALDH1A1 866/4885HPGD 3805/4885GAA 4466/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 ALDH1A1 3068/4885HPGD 3395/4885GAA 362/4885
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 ALDH1A1 871/4885HPGD 704/4885GAA 769/4885

“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.