SCHEMBL16825908

SCHEMBL16825908

Nc1n[nH]c(N2CCN(Cc3cccc(Cl)c3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.57
▸ MAPT P10636 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GAA P10253 2/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ DHFR P00374 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
SCHEMBL16826410 0.87 GAA (0.62) SIGMAR1MAPTTSHRGAADRD4
SCHEMBL16825734 0.85 ALDH1A1 (0.54) MAPTTSHRGAAHRH4KDM4E
SCHEMBL16826236 0.84 SIGMAR1 (0.54) SIGMAR1GAAHRH4HTR6
SCHEMBL16826098 0.82 KDM4E (0.55) SIGMAR1GAADRD4KDM4EALDH1A1
SCHEMBL16825972 0.81 LMNA (0.51) MAPTTSHRGAAKDM4EALDH1A1
SCHEMBL16825903 0.81 KDM4E (0.54) GAADRD2DRD4DRD3HRH4
SCHEMBL16826336 0.80 TNKS (0.50) TSHRGAADRD2KDM4EMEN1
SCHEMBL11200656 0.80 SIGMAR1 (0.57) SIGMAR1MAPTTSHRGAAADORA2A
SCHEMBL16826194 0.79 ALDH1A1 (0.50) TSHRGAAHRH4ALDH1A1MEN1
SCHEMBL16825881 0.79 KDM4E (0.52) MAPTGAAADORA2AADORA1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — 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 (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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC SIGMAR1 1951/4885MAPT 2060/4885TSHR 3816/4885

“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.

Send feedback