SCHEMBL17308384

SCHEMBL17308384

CCc1ccccc1S(=O)(=O)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
CXCR2 P25025 2/20 0.48
SLC6A2 P23975 10/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 6/20 0.40
CYP2D6 P10635 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KCNH2 Q12809 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
NFKB1 P19838 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL15676829 0.88 CTSB (0.64) CTSBCXCR2PTGDR2KCNH2LOXL2
SCHEMBL13164007 0.80 HTR6 (0.49) CXCR2CYP11B1CYP11B2LMNACYP3A4
SCHEMBL8481331 0.77 HTR6 (0.47) CXCR2SLC6A2SLC6A4SLC6A3CYP11B1
SCHEMBL18343910 0.77 CA1 (0.41) CYP11B1CYP11B2LMNACYP3A4GABRA1
SCHEMBL3223437 0.77 HTR6 (0.47) CXCR2CYP3A4HTR6
SCHEMBL2598144 0.76 LMNA (0.43) CTSBCXCR2CYP11B1CYP11B2LMNA
Hydrochloric Acid SCHEMBL10666439 0.75 HTR6 (0.46) CXCR2SLC6A2SLC6A4SLC6A3CYP11B1
SCHEMBL8484443 0.74 HTR6 (0.50) HTR6
SCHEMBL5668214 0.74 CHRM1 (0.40) CXCR2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22393228 0.73 CTSB (0.46) CTSBPTGDR2KCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 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 (1 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-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CTSB 4774/4885CXCR2 3965/4885SLC6A2 4350/4885

“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.