SCHEMBL19201493

SCHEMBL19201493

CCC(O)CC(C)CN1N=C(CN(C)C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31
HTR2A P28223 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL10079909 0.86 HTR2C (0.32) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL10080808 0.84 HTR2C (0.33) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL10080383 0.80 HTR2C (0.31) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL10080901 0.79 HTR2C (0.34) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL14916980 0.78 ALDH1A1 (0.41) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL10079889 0.78 HTR2C (0.32) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL10080299 0.77 HTR2C (0.33) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL10080807 0.77 HTR2C (0.33) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL14916433 0.76 ALDH1A1 (0.45) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL14916530 0.76 ALDH1A1 (0.45) HTR2CSLC6A4HTR2ACACNA1GCACNA1B

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-10723703-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-28 US disclosed
US-20190084938-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2019-03-21 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 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 (3 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-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885

“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.