SCHEMBL21776313

SCHEMBL21776313

CCc1ccccc1OCCNC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.63
L3MBTL1 Q9Y468 4/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTR1B P28222 4/20 0.57
HTR1D P28221 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLC6A4 P31645 1/20 0.51

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
SCHEMBL7908960 0.84 HTR1B (0.69) HRH1L3MBTL1HTR1BHTR1DTP53
SCHEMBL10783529 0.84 L3MBTL1 (0.84) HRH1L3MBTL1MAPTNPSR1CYP1A2
SCHEMBL11750789 0.82 HRH1 (0.90) HRH1L3MBTL1HTR1BHTR1DTP53
SCHEMBL10595519 0.82 L3MBTL1 (0.74) HRH1L3MBTL1MAPTNPSR1TP53
SCHEMBL17445913 0.82 L3MBTL1 (0.74) HRH1L3MBTL1MAPTNPSR1TP53
SCHEMBL24307324 0.80 HRH1 (0.54) HRH1L3MBTL1HTR1BHTR1DTP53
SCHEMBL5420692 0.80 L3MBTL1 (0.71) L3MBTL1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL10287178 0.80 MTNR1A (0.69) L3MBTL1MAPTNPSR1TSHRHPGD
SCHEMBL10287455 0.80 L3MBTL1 (0.56) HRH1L3MBTL1MAPTNPSR1TSHR
SCHEMBL18359070 0.79 L3MBTL1 (0.65) HRH1L3MBTL1MAPTNPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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 (1 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-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HRH1 1902/4885L3MBTL1 1677/4885MAPT 4169/4885

“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.