SCHEMBL19002822

SCHEMBL19002822

CCC(=O)N(Cc1ccccc1F)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.69
ALDH1A1 P00352 8/20 0.54
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
TSPO P30536 1/20 0.46

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
SCHEMBL19049620 0.89 OPRM1 (0.57) OPRM1ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL21169304 0.85 OPRM1 (0.53) OPRM1ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL18997815 0.85 SLC6A2 (0.55) OPRM1ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL21900761 0.84 OPRM1 (0.53) OPRM1ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL28781768 0.83 OPRM1 (1.00) OPRM1TMEM97SLC6A3KCNH2
SCHEMBL24943172 0.82 OPRM1 (0.51) OPRM1ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL19002826 0.82 OPRM1 (0.50) OPRM1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31649396 0.79 HTR2A (0.56) OPRM1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5072329 0.77 SLC6A4 (0.59) OPRM1ALDH1A1SLC6A2SLC6A4ALOX15
SCHEMBL19002823 0.76 OPRM1 (0.66) OPRM1ALDH1A1SLC6A2SLC6A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO 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-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS OPRM1 4646/4885ALDH1A1 3448/4885SLC6A2 4853/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885ALDH1A1 2765/4885SLC6A2 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.