SCHEMBL10034634

SCHEMBL10034634

NNCC1CCC(F)(F)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.31
IL1B P01584 1/20 0.30

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
Hydrochloric Acid SCHEMBL360922 0.98 P2RX7 (0.30) P2RX7
SCHEMBL20859102 0.76 P2RX7 (0.33) P2RX7IL1B
SCHEMBL17780233 0.76 HTR2A (0.35) P2RX7IL1B
SCHEMBL21556779 0.76 P2RX7 (0.31) P2RX7
SCHEMBL8133096 0.76 P2RX7 (0.33) P2RX7IL1B
SCHEMBL1134142 0.76
SCHEMBL10034639 0.75
Hydrochloric Acid SCHEMBL30932632 0.74 HTR2A (0.38) P2RX7
Hydrochloric Acid SCHEMBL284041 0.73
Hydrochloric Acid SCHEMBL518124 0.73

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 28 patents — showing the first 20. 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-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
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP 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
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
WO-2012033144-A1 PYRAZOLOQUINOLINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 WO 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A P2RX7 103/4885IL1B 2795/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A P2RX7 210/4885IL1B 3968/4885

“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.