SCHEMBL296739

SCHEMBL296739

COC(=O)C1OCCc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
PDE5A O76074 3/20 0.37
TSHR P16473 2/20 0.37
GID4 Q8IVV7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL22491754 1.00 RAB9A (0.40) RAB9APDE5ATSHRGID4ALDH1A1
SCHEMBL16534907 0.85 SIGMAR1 (0.39) RAB9ATSHRALDH1A1KMT2ACYP1A2
SCHEMBL24543429 0.84 ALDH1A1 (0.39) RAB9ATSHRALDH1A1KMT2ASLC6A3
SCHEMBL15321005 0.84 RAB9A (0.41) RAB9ATSHRALDH1A1KMT2ATHRB
SCHEMBL2730679 0.84 TSHR (0.34) RAB9ATSHRALDH1A1KMT2ATHRB
SCHEMBL297389 0.82 GID4 (0.41) RAB9ATSHRGID4ALDH1A1KMT2A
SCHEMBL22491760 0.82 GID4 (0.41) RAB9ATSHRGID4ALDH1A1KMT2A
SCHEMBL297221 0.82 RAB9A (0.34) RAB9ATSHRGID4KMT2ATAAR1
SCHEMBL15319401 0.77 PDE5A (0.39) PDE5ATSHRALDH1A1TAAR1SLC6A3
SCHEMBL23813107 0.75 PDE5A (0.39) PDE5AGID4CYP1A2MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352346-B2 Process for the preparation of 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole and the hydrogensulfate salt thereof ORION CORPORATION (FI) 2022-06-07 US disclosed
EP-3717476-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF Orion Corporation (FI) 2020-10-07 EP disclosed
US-20200308152-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF ORION CORPORATION (FI) 2020-10-01 US disclosed
CN-111630049-A Process for the preparation of 2- (5-methoxyisochroman-1-yl) -4, 5-dihydro-1H-imidazole and its bisulphate 奥赖恩公司 2020-09-04 CN disclosed
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (6 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-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ADRA2A, ADRB2, ADRA2C RAB9A 1570/4885PDE5A 384/4885TSHR 141/4885
US-20200308152-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF ADRA2A, ADRA2C, ADRB2 RAB9A 985/4885PDE5A 797/4885TSHR 576/4885
US-11352346-B2 Process for the preparation of 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole and the hydrogensulfate salt thereof ADRA2A, ADRA2C, ADRB2 RAB9A 983/4885PDE5A 665/4885TSHR 627/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 RAB9A 1662/4885PDE5A 1172/4885TSHR 1103/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 RAB9A 1758/4885PDE5A 1405/4885TSHR 1257/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 RAB9A 1758/4885PDE5A 1405/4885TSHR 1257/4885

“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.