SCHEMBL610892

SCHEMBL610892

Brc1cccc([C@H]2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KDM1A O60341 5/20 0.52
PARP1 P09874 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
RCOR1 Q9UKL0 2/20 0.41
FFAR1 O14842 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL29364885 1.00 TSHR (0.54) TSHRKDM1APARP1HTR2AHTR2C
SCHEMBL610893 1.00 TSHR (0.54) TSHRKDM1APARP1HTR2AHTR2C
SCHEMBL7784351 1.00 TSHR (0.54) TSHRKDM1APARP1HTR2AHTR2C
SCHEMBL21974861 0.84 TSHR (0.67) TSHRPARP1MEN1KMT2ADRD2
SCHEMBL46283 0.84 TSHR (0.67) TSHRPARP1MEN1KMT2ADRD2
SCHEMBL27997313 0.79 KDM1A (0.44) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL13551110 0.77 KDM1A (0.43) KDM1AHTR2AHTR2CHTR2BRCOR1
Water SCHEMBL10412066 0.77 KDM1A (0.43) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL27988042 0.77 KDM1A (0.43) KDM1APARP1HTR2AHTR2CHTR2B
SCHEMBL1810741 0.77 KDM1A (0.50) KDM1AHTR2AHTR2CHTR2BRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 US disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 EP disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 US disclosed
EP-2822928-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2015-01-14 EP disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-8217184-B2 Process for producing optically active cis-silyl olefin oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-10 US disclosed
US-8217184-B2 Process for producing optically active cis-silyl olefin oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-10 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20100305338-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CIS-SILYL OLEFIN OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-02 US disclosed
US-20100305338-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CIS-SILYL OLEFIN OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-02 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
CN-1369565-A Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger SHANGHAI INST ORGANIC CHEM (CN) 2002-09-18 CN 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 (9 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT TSHR 1801/4885KDM1A 1652/4885PARP1 1187/4885
US-20100305338-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CIS-SILYL OLEFIN OXIDE COMPOUND CYP51A1, MSMO1, SQLE TSHR 3873/4885KDM1A 2373/4885PARP1 2968/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT TSHR 1801/4885KDM1A 1652/4885PARP1 1187/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT TSHR 1801/4885KDM1A 1652/4885PARP1 1187/4885
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 TSHR 679/4885KDM1A 1084/4885PARP1 2179/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 TSHR 670/4885KDM1A 1073/4885PARP1 2215/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT TSHR 1801/4885KDM1A 1652/4885PARP1 1187/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 TSHR 670/4885KDM1A 1073/4885PARP1 2215/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT TSHR 1801/4885KDM1A 1652/4885PARP1 1187/4885

“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.