SCHEMBL29689683

SCHEMBL29689683

CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.57
▸ SYK P43405 2/20 0.51
▸ CASR P41180 2/20 0.50
▸ ACACB O00763 2/20 0.49
▸ PHGDH O43175 2/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ SUV39H2 Q9H5I1 2/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL22499987 1.00 NOTUM (0.57) NOTUMSYKCASRACACBPHGDH
SCHEMBL23510809 0.91 MTNR1A (0.49) NOTUMMTNR1AMTNR1BSUV39H2PIM1
SCHEMBL13613090 0.88 POLB (0.55) NOTUMSYKLMNAHTTMAPT
SCHEMBL13758488 0.88 POLB (0.55) NOTUMSYKLMNAHTTMAPT
SCHEMBL6557540 0.87 MTNR1A (0.49) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL1352103 0.87 MTNR1A (0.49) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL6557127 0.87 MTNR1A (0.49) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL28597274 0.86 NOTUM (0.53) NOTUMSYKSUV39H2PIM1PIM3
SCHEMBL22499926 0.86 NOTUM (0.53) NOTUMSYKSUV39H2PIM1PIM3
SCHEMBL28597272 0.86 NOTUM (0.53) NOTUMSYKSUV39H2PIM1PIM3

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 2 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

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 NOTUM 3172/4885SYK 2159/4885CASR 217/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 NOTUM 1650/4885SYK 1824/4885CASR 109/4885

“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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