SCHEMBL18448149

SCHEMBL18448149

CC(O)c1ccccc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.45
ADRA2B P18089 4/20 0.45
ADRA2C P18825 4/20 0.45
GBA1 P04062 1/20 0.38
HTR2C P28335 4/20 0.37
HTR1A P08908 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRM1 P11229 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
PDPK1 O15530 1/20 0.33
HTR2A P28223 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7496181 0.92 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2CHTR1A
SCHEMBL9203356 0.90 PTGDR2 (0.41) ADRA2AADRA2BADRA2CHTR2CHTR1A
SCHEMBL16234728 0.87 ADRA2A (0.38) ADRA2AADRA2BADRA2CGBA1HTR2C
Hydrochloric Acid SCHEMBL4676075 0.86 HTR2C (0.57) ADRA2AADRA2BADRA2CHTR2CHTR1A
SCHEMBL15704287 0.82 CHRNB4 (0.48) ADRA2AADRA2BADRA2CHTR2CSLC6A2
SCHEMBL4680009 0.81 MEN1 (0.46) CHRM1CHRM4KCNH2
SCHEMBL20241552 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CGBA1HTR2C
SCHEMBL14300266 0.78 PTGS2 (0.40) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL20595810 0.77 PRCP (0.39) ADRA2AADRA2BADRA2CHTR2CGABRA1
SCHEMBL21784784 0.77 MMP2 (0.42) ADRA2AADRA2BADRA2CGBA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 US disclosed
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 EP disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 WO 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 (5 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 473/4885ADRA2B 289/4885ADRA2C 513/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885

“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.