SCHEMBL20146341

SCHEMBL20146341

C[C@H]1CN(C(=O)OCc2ccccc2)C1(CCOS(C)(=O)=O)CCOS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL20323867 0.96 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20146346 0.96 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20146348 0.88 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22039244 0.84 HTR2C (0.40) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL20146366 0.83 HTR2C (0.49) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20146347 0.83 HTR2C (0.39) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20146450 0.81 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20323941 0.79 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL21538652 0.77 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL20146358 0.75 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAPAN TOBACCO INC. (JP) 2022-05-24 US disclosed
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAPAN TOBACCO INC. (JP) 2020-11-03 US disclosed
EP-3321271-A1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF Japan Tobacco, Inc. (JP) 2018-05-16 EP 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-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 HTR2C 2648/4885SMN1; SMN2 4747/4885NPC1 3576/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 HTR2C 1522/4885SMN1; SMN2 4192/4885NPC1 3362/4885

“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.