SCHEMBL6828679

SCHEMBL6828679

N[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.45
CYP2C19 P33261 1/20 0.43
PIK3CA P42336 1/20 0.43
SLC6A9 P48067 1/20 0.41
LCAT P04180 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
OGA O60502 1/20 0.39
SYK P43405 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CXCR3 P49682 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
SCHEMBL6828680 1.00 HRH4 (0.45) HRH4CYP2C19PIK3CASLC6A9LCAT
SCHEMBL9921643 0.81 EIF2AK4 (0.43) SLC6A9LCATOGACA12CA1
SCHEMBL18890168 0.80 HRH4 (0.45) HRH4HRH3
SCHEMBL9923207 0.78 OGA (0.42) SLC6A9LCATOGACA12CA1
SCHEMBL9920471 0.78 OGA (0.42) SLC6A9LCATOGACA12CA1
SCHEMBL1352309 0.78 DPP4 (0.54) HRH4HRH3
SCHEMBL1352308 0.78 DPP4 (0.54) HRH4HRH3
SCHEMBL18890104 0.78 HRH4 (0.46) HRH4HRH3
SCHEMBL18231638 0.78 OGA (0.42) SLC6A9LCATOGACXCR3
SCHEMBL12683424 0.78 OGA (0.42) SLC6A9LCATOGACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 WO disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 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 (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-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H HRH4 538/4885CYP2C19 2504/4885PIK3CA 3488/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 HRH4 149/4885CYP2C19 2994/4885PIK3CA 2603/4885

“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.