SCHEMBL30311334

SCHEMBL30311334

CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(N3CC(OCc4ccccc4)C3)cc(Cl)n2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ TMEM97 Q5BJF2 3/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ AADAT Q8N5Z0 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 5/20 0.35
▸ NR1H3 Q13133 5/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL30311180 0.92 KLK7 (0.41) KLK7DPP4PRMT5TMEM97SIGMAR1
SCHEMBL22176306 0.88 KLK7 (0.41) KLK7DPP4PRMT5TMEM97SIGMAR1
SCHEMBL30311378 0.88 KLK7 (0.41) KLK7DPP4PRMT5TMEM97SIGMAR1
SCHEMBL30311421 0.87 KLK7 (0.37) KLK7DPP4PRMT5TMEM97SIGMAR1
SCHEMBL22164195 0.78 TSHR (0.40) TSHRMAPTNPSR1ALDH1A1LMNA
SCHEMBL30311213 0.78 AADAT (0.38) KLK7PRMT5TMEM97SIGMAR1AADAT
SCHEMBL221557 0.77 TSHR (0.38) TSHRMAPTNPSR1ALDH1A1LMNA
SCHEMBL2737942 0.77 PDE8B (0.40) TSHRMAPTNPSR1ALDH1A1LMNA
SCHEMBL15958257 0.77 AADAT (0.48) TMEM97SIGMAR1AADATNPSR1ALDH1A1
SCHEMBL30311147 0.77 DPP4 (0.35) DPP4PRMT5TSHRMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 — — 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 (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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 KLK7 1510/4885DPP4 57/4885PRMT5 356/4885

“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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