SCHEMBL21169304

SCHEMBL21169304

CSCC(=O)N(Cc1ccccc1F)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
ALDH1A1 P00352 9/20 0.48
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
MAPT P10636 1/20 0.43
SLC6A4 P31645 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL19002826 0.86 OPRM1 (0.50) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL19002822 0.85 OPRM1 (0.69) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL19049620 0.82 OPRM1 (0.57) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL18997815 0.81 SLC6A2 (0.55) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL24943172 0.79 OPRM1 (0.51) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL21900761 0.78 OPRM1 (0.53) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL6207029 0.71 C5AR1 (0.47) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL12005633 0.71 OPRM1 (0.56) OPRM1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14099804 0.70 C5AR1 (0.46) OPRM1ALDH1A1THRBLMNAMEN1
SCHEMBL6206609 0.70 C5AR1 (0.46) OPRM1ALDH1A1THRBLMNAMEN1

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 OPRM1 3991/4885ALDH1A1 2861/4885THRB 1817/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885ALDH1A1 2765/4885THRB 1733/4885

“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.