SCHEMBL23387356

SCHEMBL23387356

O=C(O)N[C@@H]1CCCN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ RIPK2 O43353 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ SYK P43405 3/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL23387357 1.00 KMT2A (0.46) KMT2APHGDHMEN1RIPK2ACACB
SCHEMBL23387230 0.93 NOTUM (0.44) KMT2ARIPK2ACACBNOTUMPIK3CD
SCHEMBL23387232 0.93 NOTUM (0.44) KMT2ARIPK2ACACBNOTUMPIK3CD
SCHEMBL23387339 0.93 NOTUM (0.44) KMT2ARIPK2ACACBNOTUMPIK3CD
SCHEMBL23387353 0.88 ACACB (0.48) RIPK2ACACBPIK3CDPIK3CACHRNB4
SCHEMBL23497670 0.85 SYK (0.51) KMT2APHGDHMEN1ACACBSYK
SCHEMBL29689700 0.85 SYK (0.51) KMT2APHGDHMEN1ACACBSYK
SCHEMBL22499810 0.85 SYK (0.51) KMT2APHGDHMEN1ACACBSYK
SCHEMBL29689559 0.82 ACACB (0.49) KMT2ARIPK2ACACBEIF2AK4SYK
SCHEMBL23387264 0.82 NOTUM (0.58) KMT2APHGDHMEN1S100A4NOTUM

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-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

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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 KMT2A 2174/4885PHGDH 2197/4885MEN1 2841/4885

“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.

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