SCHEMBL21565051

SCHEMBL21565051

Cc1cccnc1-c1ccccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HTR1A P08908 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 1/20 0.41
ADRA1A P35348 1/20 0.40
HTR2C P28335 3/20 0.39
OPRL1 P41146 2/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CNR2 P34972 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP2A6 P11509 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9612906 0.79 CYP2A6 (0.36) PTGS2HTR1ASLC6A2SLC6A4CNR2
SCHEMBL9128602 0.78 PTGS2 (0.41) PTGS2ALDH1A1OPRL1
SCHEMBL10634854 0.77 KDM4E (0.53) ALDH1A1GAA
SCHEMBL2322176 0.77 CHRNB2 (0.42) HTR1ASLC6A2SLC6A4ADRA1ATNKS2
SCHEMBL10634926 0.77 KDM4E (0.53) ALDH1A1GAA
SCHEMBL8036544 0.77 PTGS2 (0.46) PTGS2HTR1ASLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL10630457 0.76 KDM4E (0.51) ALDH1A1GAA
SCHEMBL24041236 0.76 GAA (0.41) HTR1ASLC6A2SLC6A4ADRA1AOPRL1
SCHEMBL21864347 0.76 ADRA1A (0.40) HTR1ASLC6A2SLC6A4ADRA1AOPRL1
SCHEMBL2084224 0.75 CYP11B2 (0.43) PTGS2HTR1ASLC6A2SLC6A4

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-4540258-B1 RUTHENIUM COMPLEXES AND THEIR USES IN CHEMICAL REACTIONS UNIV MANCHESTER (GB) 2026-04-15 EP disclosed
US-20250242335-A1 CATALYST UNIV MANCHESTER (GB) 2025-07-31 US disclosed
EP-4540258-A1 CATALYST The University of Manchester (GB) 2025-04-23 EP disclosed
WO-2023247563-A1 CATALYST THE UNIVERSITY OF MANCHESTER (GB) 2023-12-28 WO disclosed
WO-2019215427-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 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-20250242335-A1 CATALYST CYP1A1, CYP1A2, CYP2B6 PTGS2 1388/4885HTR1A 2186/4885SLC6A2 2615/4885

“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.