SCHEMBL31757571

SCHEMBL31757571

FC(F)(F)CN1CCC2(CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2D6 P10635 4/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC1 Q13547 1/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL17624330 0.84 TSHR (0.33) TSHRCYP2D6OPRM1OPRD1OPRK1
SCHEMBL23063614 0.84 TSHR (0.43) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19504706 0.79 SOS1 (0.32) TSHRCYP3A4CYP2C19CYP1A2
SCHEMBL18385740 0.77 TSHR (0.36) TSHRCYP2D6OPRM1CYP1A2
SCHEMBL17624099 0.77 OPRM1 (0.35) TSHRCYP3A4CYP2D6CYP2C19OPRM1
SCHEMBL22182595 0.77 HIF1A (0.36) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22025563 0.77 USP2 (0.33) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18202958 0.76 OPRD1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL19498552 0.74 CYP3A4 (0.33) TSHRCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL25001743 0.74 OPRM1 (0.33) CYP3A4CYP2D6OPRM1OPRD1OPRK1

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-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US claimed

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-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 TSHR 4487/4885CYP3A4 4780/4885CYP2D6 4347/4885

“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.