SCHEMBL19930451

SCHEMBL19930451

CCOC(=O)N1CCN(c2ccc3nccn3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.61
▸ DPP4 P27487 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ USP30 Q70CQ3 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMO Q99835 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ IDE P14735 1/20 0.44
▸ NOS3 P29474 1/20 0.44

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
SCHEMBL15254295 0.84 NAMPT (0.53) LMNAMAPTALDH1A1
SCHEMBL19930449 0.83 DPP4 (0.49) NPSR1DPP4HPGDKMT2AGAA
SCHEMBL30755020 0.82 RXFP1 (0.52) RAB9AKDM4ENPC1RXFP1KMT2A
SCHEMBL18126689 0.81 NPSR1 (0.67) NPSR1DPP4SMN1; SMN2HPGDRAB9A
SCHEMBL15254381 0.77 KDM4E (0.48) NPSR1DPP4SMN1; SMN2RAB9AKDM4E
SCHEMBL19930448 0.77 SLC6A7 (0.55) DPP4SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL19930458 0.76 SLC6A7 (0.54) SMN1; SMN2HPGDKDM4EKMT2ALMNA
SCHEMBL8291757 0.74 SMN1; SMN2 (0.70) NPSR1DPP4SMN1; SMN2HPGDRAB9A
SCHEMBL9289622 0.74 KDM4E (0.64) SMN1; SMN2HPGDKDM4EGAAMAPT
SCHEMBL19467146 0.74 DPP4 (0.63) NPSR1DPP4SMN1; SMN2HPGDRAB9A

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-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 — — 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-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 NPSR1 4162/4885DPP4 245/4885SMN1; SMN2 3965/4885

“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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