SCHEMBL25447692

SCHEMBL25447692

CC(CCO)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CHRM2 P08172 2/20 0.45
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
KCNA5 P22460 4/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.43
CYP2D6 P10635 3/20 0.42
KCNE1 P15382 1/20 0.42
CYP2C19 P33261 2/20 0.42
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL20099923 1.00 TSHR (0.47) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL14292127 0.91 CYP1A2 (0.45) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL18098121 0.89 TSHR (0.42) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL3995009 0.86 TSHR (0.48) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL30211265 0.86 TSHR (0.48) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL14928546 0.86 TSHR (0.48) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL14928678 0.86 TSHR (0.48) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL27757299 0.85 KCNA5 (0.48) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL1156021 0.84 KCNA5 (0.53) TSHRSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL16477945 0.84 KCNA5 (0.53) TSHRSLC6A2SLC6A4CYP1A2CYP3A4

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-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-11 US disclosed
EP-3315492-B1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2020-09-16 EP disclosed
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 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 (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-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, CYP51A1, CYP4F11 TSHR 4327/4885SLC6A2 1501/4885SLC6A4 923/4885

“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.