SCHEMBL23259348

SCHEMBL23259348

CC(C)Cc1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.54
GPR84 Q9NQS5 1/20 0.49
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
HTR1A P08908 3/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A4 P31645 2/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1E P28566 1/20 0.44

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
SCHEMBL23269926 0.88 HTR2A (0.50) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL22229850 0.88 HTR2A (0.69) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL30776138 0.88 HTR2A (0.69) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL24690447 0.88 HTR2A (0.69) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL16451189 0.87 GPR84 (0.69) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL17833262 0.79 GPR84 (0.53) HTR2AGPR84HTR2BHTR1AHTR1D
SCHEMBL3182374 0.79 GPR84 (0.67) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL14511411 0.79 HTR2A (0.77) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL23259357 0.79 GPR84 (0.65) HTR2AGPR84HTR2CHTR2BHTR1A
SCHEMBL25139485 0.77 GPR84 (0.44) HTR2AGPR84HTR2CHTR2BHTR1A

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-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR2A 4881/4885GPR84 3768/4885HTR2C 4884/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HTR2A 4876/4885GPR84 3013/4885HTR2C 4875/4885

“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.