SCHEMBL21169559

SCHEMBL21169559

CC(C)CCN1C(=O)CSc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GFER P55789 1/20 0.46
CHRM1 P11229 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM1A O60341 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL12963502 0.83 NPSR1 (0.60) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL10066394 0.80 NPSR1 (0.63) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL18997078 0.79 TSHR (0.53) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL11822716 0.79 KDM1A (0.60) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL7746872 0.79 TSHR (0.54) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL8008759 0.78 TSHR (0.55) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL4101516 0.78 TSHR (0.58) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL4091216 0.77 NPSR1 (0.54) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL4095161 0.77 TSHR (0.51) TSHRALDH1A1NPSR1GFERCHRM1
SCHEMBL11821877 0.77 CYP2D6 (0.62) TSHRALDH1A1NPSR1GFERCHRM1

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 TSHR 4428/4885ALDH1A1 2861/4885NPSR1 3741/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TSHR 4461/4885ALDH1A1 2765/4885NPSR1 3909/4885

“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.