SCHEMBL19508041

SCHEMBL19508041

CCc1c(C2CC2)cc(Cl)cc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTGDR Q13258 4/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
PTGER2 P43116 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
SCN9A Q15858 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
SCHEMBL21586420 0.75 PDE10A (0.38) TAAR1PTGDRPTGDR2HTR2AHTR2C
SCHEMBL15129437 0.74 P2RX7 (0.39) P2RX7TAAR1PTGDRPTGDR2PTGER2
SCHEMBL23541662 0.72 SHMT1 (0.30)
SCHEMBL19507809 0.71 CYP17A1 (0.34) HTR2AHTR2CHTR2B
SCHEMBL11705384 0.71 ESR1 (0.41) PTGDRPTGDR2
SCHEMBL18007672 0.70 TAAR1 (0.42) TAAR1PTGDRPTGDR2SCN9A
SCHEMBL20932957 0.70 MAP3K14 (0.33) TAAR1
SCHEMBL19869252 0.70 PTGDR2 (0.36) TAAR1PTGDRPTGDR2
SCHEMBL16587421 0.69 NPC1 (0.41) P2RX7TAAR1HTR2AHTR2CHTR2B
SCHEMBL11701220 0.69 ESR1 (0.40) PTGDRPTGDR2PTGER2

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-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 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 (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-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP P2RX7 22/4885TAAR1 4434/4885PTGDR 4312/4885

“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.