SCHEMBL25669530

SCHEMBL25669530

Cc1cnccc1CCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.53
▸ CHRNA7 P36544 1/20 0.50
▸ TAAR1 Q96RJ0 4/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL13285102 0.80 SLC6A4 (0.48) CHRNB2CHRNA4CYP2A6SLC6A2SLC6A4
SCHEMBL873728 0.78 CYP2E1 (0.49) CYP2A6
SCHEMBL14945019 0.76 TAAR1 (0.52) HTR6CHRNA7TAAR1CYP2A6
SCHEMBL6628774 0.76 TKT (0.39) CYP2A6
SCHEMBL2982329 0.75 HTR6 (0.48) HTR6CHRNA7TAAR1CHRNB2CHRNA4
SCHEMBL21983945 0.74 TAAR1 (0.50) TAAR1
SCHEMBL18924363 0.74 TDP1 (0.43) CYP2A6HRH3
SCHEMBL320336 0.74 HTR6 (0.47) HTR6CHRNA7IDO1
SCHEMBL214076 0.73 — —
SCHEMBL30753498 0.72 ADAMTS4 (0.34) CYP2A6

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-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 — — 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-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 HTR6 2026/4885CHRNA7 4696/4885TAAR1 4143/4885

“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.

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