SCHEMBL19002737

SCHEMBL19002737

CCC(C)C(c1ccccc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 5/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 5/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
KCNH2 Q12809 5/20 0.44
KCNA5 P22460 3/20 0.44
TSHR P16473 4/20 0.42
CYP2D6 P10635 3/20 0.41
KCNE1 P15382 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
CHRM1 P11229 4/20 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
SCHEMBL10441963 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL1293117 0.79 LMNA (0.50) CHRM2LMNACHRM1HRH1HTR2A
SCHEMBL24802072 0.78 KCNA5 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL18966264 0.78 KCNA5 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL290075 0.78 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL17071880 0.78 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL23518093 0.77 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL13273737 0.76 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL3910230 0.75 TSHR (0.62) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL19267203 0.75 KCNA5 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2

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 5 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
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
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 (5 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 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885

“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.