SCHEMBL20127248

SCHEMBL20127248

Cc1ccc(Br)c2c1OCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL6127893 0.83 MAOA (0.47) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL18862586 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18181738 0.76 LMNA (0.36) HTR2AHTR2CHTR2BIL1RNERAP2
SCHEMBL30363924 0.76 HTR2A (0.34) HTR2AHTR2CHTR2BIL1RNERAP2
SCHEMBL22076748 0.76 HTR2A (0.34) HTR2AHTR2CHTR2BIL1RNERAP2
SCHEMBL28504448 0.76 MAOA (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL24819189 0.76 MAPT (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL5536862 0.76 MAOA (0.54) MAOAMAOBHTR2AALDH1A1
SCHEMBL5536859 0.76 MAOA (0.42) MAOAMAOBALDH1A1CYP1A2
SCHEMBL25887263 0.74 HTR2A (0.33) MAOAMAOBHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
WO-2023150525-A1 COMPETITIVE AND NONCOMPETITIVE PIPERIDINE SULFONYL INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 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 (2 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-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK MAOA 1258/4885MAOB 648/4885HTR2A 4589/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 MAOA 104/4885MAOB 105/4885HTR2A 30/4885

“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.