SCHEMBL25801663

SCHEMBL25801663

CCCC1(c2ccc(C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 1/20 0.39
ICMT O60725 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
ELANE P08246 1/20 0.37
PGR P06401 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL4820101 0.91 CYP2A6 (0.40) CYP2A6ICMTCYP19A1SLC6A2SLC6A4
SCHEMBL10606455 0.87 SLC6A3 (0.43) CYP2A6TSHRHSD17B10CYP19A1SLC6A2
SCHEMBL14861187 0.82 CNR2 (0.43) CYP2A6TSHRHSD17B10CYP19A1SLC6A2
SCHEMBL8734995 0.80 CNR2 (0.48) CYP2A6TSHRHSD17B10PGRCYP19A1
SCHEMBL8735120 0.79 CNR2 (0.50) TSHRHSD17B10PGRCYP19A1SLC6A2
SCHEMBL25801684 0.79 L3MBTL1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10582903 0.77 CYP2A6 (0.40) CYP2A6ALDH1A1TSHRHSD17B10LOXL2
SCHEMBL10721091 0.77 TSHR (0.49) ALDH1A1ICMTTSHRHSD17B10SLC6A2
SCHEMBL11138914 0.76 CYP2A6 (0.42) CYP2A6ALDH1A1ELANECYP19A1SLC6A2
SCHEMBL11574164 0.76 TSHR (0.51) ALDH1A1ICMTTSHRHSD17B10SLC6A2

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 CYP2A6 1574/4885ALDH1A1 134/4885ICMT 1437/4885

“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.