SCHEMBL506157

SCHEMBL506157

COc1cccc2c1CC=CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD4 P21917 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HTR1A P08908 2/20 0.41
HTR2A P28223 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1788633 0.83 DRD2 (0.46) DRD2DRD3CHRM2CHRM1CHRM3
Ethylenediamine SCHEMBL11004709 0.82 DRD2 (0.47) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL4403311 0.78 PPARG (0.39) ACHE
SCHEMBL7544325 0.77 ADRA1A (0.50) CA12CA1CA2CA4CA7
SCHEMBL10454754 0.76 MAPK1 (0.44) DRD2HTR2AACHE
SCHEMBL6907003 0.76 DRD2 (0.62) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL885468 0.75 DRD2 (0.49) DRD2DRD3CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL3583671 0.74 DRD2 (0.61) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL6901761 0.74 DRD2 (0.56) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL19133719 0.74 DRD2 (0.58) DRD2DRD3CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US 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
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-1656352-A1 6-(2,2,2-TRIFLUOROETHYLAMINO)-7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO d AZEPINE AS A 5-HT sb 2c /sb RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2006-05-17 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
WO-2005019180-A1 6-(2,2,2-TRIFLUOROETHYLAMINO)-7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINE AS A 5-HT2c RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 WO disclosed
US-4920227-A Benzobicyclic carboxamide 5-HT3 antagonists RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4656167-A Naphthoxazines and their use as psychostimulating and antidepressant agents SANDOZ LTD. (CH) 1987-04-07 US disclosed
US-4115216-A QUARTERNARY AMMONIUM COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-19 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 (1 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD DRD2 3934/4885DRD3 2599/4885CHRM2 4701/4885

“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.