SCHEMBL10080833

SCHEMBL10080833

CN(Cc1cc(NCc2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.75
SLC6A4 P31645 13/20 0.75
HTR2A P28223 4/20 0.54
PTGER4 P35408 1/20 0.41
GLS O94925 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
P2RY14 Q15391 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
F2 P00734 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37

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
SCHEMBL10080830 0.86 HTR2C (1.00) HTR2CSLC6A4HTR2APTGER4KCNJ6
SCHEMBL14924194 0.84 HTR2C (0.73) HTR2CSLC6A4HTR2A
SCHEMBL10080842 0.84 HTR2C (0.67) HTR2CSLC6A4HTR2AGLSBCHE
SCHEMBL10080834 0.79 HTR2C (0.65) HTR2CSLC6A4HTR2AP2RY14SLC16A3
SCHEMBL10080661 0.78 HTR2C (1.00) HTR2CSLC6A4HTR2ASLC16A3SLC16A1
SCHEMBL10080832 0.76 HTR2C (1.00) HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL359907 0.75 HTR2C (0.98) HTR2CSLC6A4HTR2A
SCHEMBL10079893 0.71 HTR2C (0.98) HTR2CSLC6A4HTR2A
SCHEMBL14924172 0.71 HTR2C (0.72) HTR2CSLC6A4HTR2AGLSSLC16A3
SCHEMBL10080846 0.70 HTR2C (1.00) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 US disclosed
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-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
EP-2594559-B1 PYRAZOLE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-24 EP disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 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 (9 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-20140315971-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885HTR2A 7/4885
US-20200308119-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
US-20140031406-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.