SCHEMBL21536713

SCHEMBL21536713

CCC(C)(C)c1ccc(OCC2CCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CNR2 P34972 2/20 0.37
HTR2C P28335 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RIPK1 Q13546 1/20 0.37
DUT P33316 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
NOS3 P29474 1/20 0.35

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
SCHEMBL22414484 0.94 RIPK1 (0.41) MAOBHRH3HTR2CHTR2AHTR2B
SCHEMBL20347960 0.87 PARP10 (0.40) PARP15PARP10HTR2CHTR2AHTR2B
SCHEMBL20206836 0.85 HTR2A (0.39) PARP10HTR2CHTR2AHTR2BRIPK1
SCHEMBL21690717 0.84 HTR2A (0.40) CNR2HTR2CHTR2AHTR2BRIPK1
SCHEMBL22414494 0.83 DUT (0.45) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL20206824 0.81 RIPK1 (0.44) CNR2HTR2CHTR2AHTR2BALDH1A1
SCHEMBL22374264 0.79 RIPK1 (0.42) HTR2CHTR2AHTR2BFFAR4RIPK1
SCHEMBL18377852 0.77 PARP10 (0.41) PARP15PARP10HTR2CHTR2AHTR2B
SCHEMBL23052811 0.77 DUT (0.42) MAOBHRH3HTR2AHTR2BDUT
SCHEMBL18374454 0.77 PARP10 (0.43) PARP15PARP10HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 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-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT MAOB 3185/4885HRH3 4607/4885PARP15 727/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT MAOB 3185/4885HRH3 4607/4885PARP15 727/4885

“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.