SCHEMBL21169305

SCHEMBL21169305

Cc1ccc(CN(C(=O)CC(C)C)C2CC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A2 P23975 3/20 0.49
GAA P10253 1/20 0.46
PDK2 Q15119 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
SCHEMBL18997815 0.83 SLC6A2 (0.55) SLC6A4SLC6A2GAA
SCHEMBL18997814 0.79 GAA (0.57) HTR2ASLC6A4SLC6A2GAA
SCHEMBL19002825 0.75 GAA (0.73) HTR2ASLC6A4SLC6A2GAA
SCHEMBL20778680 0.74 SLC6A4 (0.50) HTR2ASLC6A4SLC6A2
SCHEMBL24943172 0.73 OPRM1 (0.51) SLC6A4SLC6A2
SCHEMBL21900761 0.72 OPRM1 (0.53) SLC6A4SLC6A2
SCHEMBL20780557 0.72 HTR2A (0.85) HTR2A
SCHEMBL20218988 0.72 PSMB5 (0.44)
SCHEMBL31649396 0.70 HTR2A (0.56) HTR2ASLC6A4SLC6A2
SCHEMBL18383633 0.69 PKM (0.43) HTR2ASLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (3 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 HTR2A 4083/4885SLC6A4 4664/4885SLC6A2 4684/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 HTR2A 4536/4885SLC6A4 4710/4885SLC6A2 4742/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 HTR2A 4536/4885SLC6A4 4710/4885SLC6A2 4742/4885

“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.