SCHEMBL19002826

SCHEMBL19002826

O=C(CSS)N(Cc1ccccc1F)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
ALDH1A1 P00352 10/20 0.48
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
MC3R P41968 2/20 0.46
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21169304 0.86 OPRM1 (0.53) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL19002822 0.82 OPRM1 (0.69) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL19049620 0.80 OPRM1 (0.57) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL24943172 0.79 OPRM1 (0.51) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL18997815 0.78 SLC6A2 (0.55) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL23467892 0.78 NSD2 (0.51) OPRM1ALDH1A1LMNAKMT2A
SCHEMBL21900761 0.75 OPRM1 (0.53) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL6207029 0.71 C5AR1 (0.47) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL6206609 0.70 C5AR1 (0.46) OPRM1ALDH1A1MC4RMC5RMC3R
SCHEMBL14099804 0.70 C5AR1 (0.46) OPRM1ALDH1A1MC4RMC5RMC3R

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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885ALDH1A1 2765/4885MC4R 2802/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885ALDH1A1 2765/4885MC4R 2802/4885

“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.