SCHEMBL25801684

SCHEMBL25801684

CCCC1(c2ccc(CC#N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 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
SCHEMBL25801663 0.79 CYP2A6 (0.44) SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL23578152 0.72 SLC6A4 (0.36) L3MBTL1SLC6A4SLC6A3CNR1CNR2
SCHEMBL29268068 0.72 L3MBTL1 (0.40) L3MBTL1KMT2AENPP2LMNAGAA
SCHEMBL22618678 0.72 SLC6A4 (0.36) SLC6A4SLC6A3CNR1CNR2CYP2D6
SCHEMBL15043692 0.72 SLC6A4 (0.49) SLC6A4SLC6A3CNR1SLC6A2
SCHEMBL19262168 0.72 SLC6A3 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL12981604 0.72 SLC6A4 (0.36) SLC6A4SLC6A3CNR1CNR2CYP2D6
SCHEMBL9160951 0.71 SLC6A3 (0.41) SLC6A4SLC6A3CNR1CNR2SLC6A2
SCHEMBL6021772 0.71 MAOA (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL4820101 0.71 CYP2A6 (0.40) SLC6A4SLC6A3CNR1CNR2SLC6A2

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 L3MBTL1 3425/4885SLC6A4 4847/4885SLC6A3 4855/4885

“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.