SCHEMBL25801655

SCHEMBL25801655

CCCCOc1ccc(C2(C#N)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 3/20 0.43
TSHR P16473 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
PDE4B Q07343 1/20 0.42
NR5A1 Q13285 1/20 0.42
MGAT2 Q10469 1/20 0.41

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
SCHEMBL4355309 0.86 POLB (0.54) CYP3A4CYP2D6POLBNPSR1TSHR
SCHEMBL9646608 0.86 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9649184 0.86 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9649197 0.86 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9646611 0.86 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9649276 0.85 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9649269 0.85 PDE4B (0.43) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9648552 0.84 PDE4B (0.44) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9648542 0.84 PDE4B (0.44) CYP3A4CYP2D6POLBNPSR1MEN1
SCHEMBL9649373 0.84 PDE4B (0.42) CYP3A4CYP2D6POLBNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 EP disclosed
EP-4442319-A2 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2024-10-09 EP disclosed
EP-4081511-B1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2024-07-31 EP disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 CYP3A4 2364/4885CYP2D6 2114/4885POLB 1802/4885

“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.