SCHEMBL21169258

SCHEMBL21169258

CC(C)C(=O)N1CCNC(Cc2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLG P00747 1/20 0.41
ATM Q13315 1/20 0.41
CCR3 P51677 1/20 0.40
MLNR O43193 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL19049071 0.87 CA1 (0.46) CA1CA2CA4CA9CYP2D6
SCHEMBL24943193 0.86 MLNR (0.46) CA1CA2CA4CA9CYP2D6
SCHEMBL21900620 0.86 CCR3 (0.44) CA1CA2CA4CA9CCR3
SCHEMBL18935848 0.86 CA1 (0.57) CA1CA2CA4CA9HRH3
SCHEMBL19002803 0.85 CA1 (0.44) CA1CA2CA4CA9CYP2D6
SCHEMBL18997561 0.84 CA1 (0.43) CA1CA2CA4CA9CYP2D6
SCHEMBL13859079 0.80 PLG (0.42) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL13859632 0.78 PLG (0.45) PLGATMMLNRKMT2ASLC6A3
SCHEMBL21169222 0.78 GSK3B (0.45) SLC6A2SLC6A3DPP4DPP7
SCHEMBL4288249 0.72 LTA4H (0.52) PLGMLNRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CA1 4594/4885CA2 4462/4885CA4 4259/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CA1 4238/4885CA2 4222/4885CA4 3811/4885

“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.