SCHEMBL21740967

SCHEMBL21740967

CCCC(=O)N(Cc1ccc(F)cc1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.67
TMEM97 Q5BJF2 2/20 0.67
TACR1 P25103 1/20 0.54
NSD2 O96028 1/20 0.52
GAA P10253 2/20 0.51
AGER Q15109 2/20 0.48
MTNR1A P48039 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
HTR2A P28223 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19002823 0.88 OPRM1 (0.66) OPRM1TMEM97TACR1NSD2GAA
SCHEMBL28781760 0.82 OPRM1 (1.00) OPRM1TMEM97
SCHEMBL19002825 0.81 GAA (0.73) OPRM1TMEM97TACR1NSD2GAA
SCHEMBL23467892 0.78 NSD2 (0.51) OPRM1TMEM97TACR1NSD2GAA
SCHEMBL19049620 0.77 OPRM1 (0.57) OPRM1TMEM97ALDH1A1LMNAKMT2A
SCHEMBL5986898 0.77 POLB (0.63) OPRM1TMEM97NSD2KMT2AHTR2A
SCHEMBL27787052 0.76 OPRM1 (0.65) OPRM1TMEM97TACR1LTB4R2
SCHEMBL7603229 0.76 MEN1 (0.63) NSD2KMT2AHTR2APOLBAPEX1
SCHEMBL25073932 0.75 AGER (0.60) OPRM1TMEM97TACR1NSD2GAA
SCHEMBL340916 0.75 HTR2A (0.67) OPRM1TMEM97HTR2A

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-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS OPRM1 4646/4885TMEM97 3843/4885TACR1 4554/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS OPRM1 4646/4885TMEM97 3843/4885TACR1 4554/4885

“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.