SCHEMBL20140593

SCHEMBL20140593

Cc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.54
GRM5 P41594 1/20 0.52
GPR119 Q8TDV5 6/20 0.51
KCNH2 Q12809 2/20 0.51
TRPV3 Q8NET8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.47
NAMPT P43490 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
SCHEMBL20157283 0.93 KDM5A (0.53) HTR1ADRD2DRD4GRM5GPR119
SCHEMBL20140687 0.93 KDM5A (0.53) HTR1ADRD2DRD4GRM5GPR119
SCHEMBL16291592 0.87 GPR119 (0.50) GPR119TRPV3KDM4EMAPTTHRB
SCHEMBL29518419 0.87 GPR119 (0.50) GPR119TRPV3KDM4EMAPTTHRB
SCHEMBL31232914 0.87 GRM5 (0.48) HTR1ADRD2DRD4GRM5GPR119
SCHEMBL3001502 0.87 GRM5 (0.48) HTR1ADRD2DRD4GRM5GPR119
SCHEMBL14240648 0.86 TRPV3 (0.51) GPR119TRPV3KDM4EMAPTTHRB
SCHEMBL5352510 0.86 TRPV3 (0.51) HTR1ADRD2DRD4GPR119TRPV3
SCHEMBL20266403 0.86 STS (0.51) GPR119TRPV3KDM4EMAPTTHRB
SCHEMBL2878345 0.86 TRPV3 (0.53) HTR1ADRD2DRD4GPR119TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB HTR1A 955/4885DRD2 2225/4885DRD4 1881/4885

“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.