SCHEMBL25085586

SCHEMBL25085586

CCc1ccc(C2CCNCC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
SLC6A2 P23975 10/20 0.46
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 10/20 0.46
HTR1A P08908 7/20 0.46
HTR2C P28335 3/20 0.42
USP25 Q9UHP3 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
SCHEMBL23126972 0.88 OPRL1 (0.40) HTR6
SCHEMBL11366020 0.83 NUDT1 (0.43) HTR6
SCHEMBL26923285 0.81 PANK3 (0.38) HTR6
SCHEMBL22502738 0.81 OPRL1 (0.45) HTR6
SCHEMBL6709234 0.81 TRPA1 (0.47) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL11452948 0.81 HTR6 (0.51) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22860585 0.79 OPRL1 (0.46) HTR6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL6709455 0.79 HTR2C (0.59) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5937352 0.78 HTR6 (0.48) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10266582 0.78 SLC6A2 (0.58) HTR6SLC6A2SLC6A4SLC6A3HTR1A

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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HTR6 1501/4885SLC6A2 4801/4885SLC6A4 4672/4885

“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.