SCHEMBL2632859

SCHEMBL2632859

CCC(CC)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
AOC3 Q16853 2/20 0.41
CYP17A1 P05093 1/20 0.40
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14453308 0.93 CYP17A1 (0.47) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL18595195 0.86 TRPA1 (0.42) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL19003594 0.86 ESR1 (0.44) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL2615283 0.86 GABBR2 (0.55) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL2615282 0.86 GABBR2 (0.55) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL24445184 0.83 NR1I2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL1834790 0.83 ESR1 (0.40) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL1959897 0.83 ESR1 (0.40) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL24103705 0.83 AOC3 (0.46) ESR1ESR2GABBR2GABBR1AOC3
SCHEMBL1835662 0.83 ESR1 (0.40) ADRA2AADRA2BADRA2CHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 US disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1032576-B1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
CN-1310709-A N, N-substituted cyclic amine derivatives EISAI CO LTD (JP) 2001-08-29 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 (11 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADRA2A 324/4885ADRA2B 459/4885ADRA2C 163/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADRA2A 324/4885ADRA2B 459/4885ADRA2C 163/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADRA2A 324/4885ADRA2B 459/4885ADRA2C 163/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 ADRA2A 2232/4885ADRA2B 1825/4885ADRA2C 1585/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ADRA2A 1812/4885ADRA2B 2385/4885ADRA2C 1615/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 ADRA2A 2968/4885ADRA2B 2135/4885ADRA2C 1640/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADRA2A 324/4885ADRA2B 459/4885ADRA2C 163/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 ADRA2A 2541/4885ADRA2B 1855/4885ADRA2C 1922/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G ADRA2A 1685/4885ADRA2B 1040/4885ADRA2C 1490/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 ADRA2A 17/4885ADRA2B 22/4885ADRA2C 29/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADRA2A 324/4885ADRA2B 459/4885ADRA2C 163/4885

“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.