SCHEMBL19002823

SCHEMBL19002823

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.66
TMEM97 Q5BJF2 2/20 0.66
NSD2 O96028 1/20 0.54
GAA P10253 1/20 0.53
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 1/20 0.52
AGER Q15109 2/20 0.50
MTNR1A P48039 1/20 0.50
TACR1 P25103 1/20 0.50
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL21740967 0.88 OPRM1 (0.67) OPRM1TMEM97NSD2GAAAGER
SCHEMBL19002825 0.84 GAA (0.73) OPRM1TMEM97NSD2GAASLC6A2
SCHEMBL28781746 0.81 OPRM1 (1.00) OPRM1TMEM97
SCHEMBL23467892 0.81 NSD2 (0.51) OPRM1TMEM97NSD2GAAAGER
SCHEMBL7603229 0.78 MEN1 (0.63) NSD2KCNH2POLBKMT2A
SCHEMBL25073932 0.78 AGER (0.60) OPRM1TMEM97NSD2GAAAGER
SCHEMBL340916 0.77 HTR2A (0.67) OPRM1TMEM97SLC6A2SLC6A3KCNH2
SCHEMBL3940288 0.77 TACR1 (0.64) OPRM1TMEM97NSD2GAASLC6A2
SCHEMBL5986898 0.76 POLB (0.63) OPRM1TMEM97NSD2POLBKMT2A
SCHEMBL19002822 0.76 OPRM1 (0.69) OPRM1TMEM97SLC6A2SLC6A4SLC6A3

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 7 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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 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
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US 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 (6 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 3875/4885TMEM97 3414/4885NSD2 2747/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 OPRM1 3991/4885TMEM97 3725/4885NSD2 3078/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885TMEM97 3414/4885NSD2 2747/4885
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 3843/4885NSD2 3387/4885
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 3843/4885NSD2 3387/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885TMEM97 3414/4885NSD2 2747/4885

“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.