SCHEMBL11043524

SCHEMBL11043524

COc1ccc(C2CCC(OS(C)(=O)=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.45
DRD2 P14416 1/20 0.44
THRB P10828 1/20 0.43
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
PKM P14618 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
USP5 P45974 1/20 0.38
DDB1 Q16531 1/20 0.38

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
SCHEMBL17730111 1.00 HCRTR2 (0.45) HCRTR2DRD2THRBKCNA5KCNH2
SCHEMBL11827661 0.83 HCRTR2 (0.45) HCRTR2
SCHEMBL15583266 0.81 HCRTR2 (0.46) HCRTR2ALDH1A1KDM4E
SCHEMBL15583498 0.81 HCRTR2 (0.46) HCRTR2ALDH1A1KDM4E
SCHEMBL12752783 0.81 HCRTR2 (0.46) HCRTR2ALDH1A1KDM4E
SCHEMBL11831448 0.81 RAB9A (0.51) KCNH2MAPK1CRBN
SCHEMBL11046077 0.81 ESR2 (0.49) HCRTR2DRD2THRBKCNA5KCNH2
SCHEMBL1515026 0.80 DRD2 (0.59) DRD2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL12603888 0.79 DRD2 (0.51) DRD2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL13038146 0.79 DRD2 (0.51) DRD2ALDH1A1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 EP 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 (4 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT HCRTR2 364/4885DRD2 2086/4885THRB 1654/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT HCRTR2 364/4885DRD2 2086/4885THRB 1654/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT HCRTR2 364/4885DRD2 2086/4885THRB 1654/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT HCRTR2 364/4885DRD2 2086/4885THRB 1654/4885

“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.