SCHEMBL16826236

SCHEMBL16826236

Nc1n[nH]c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.54
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTR1A P08908 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ DCPS Q96C86 1/20 0.41
▸ HSP90B1 P14625 3/20 0.41
▸ TRAP1 Q12931 3/20 0.41
▸ FAAH O00519 1/20 0.41

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
SCHEMBL16826185 0.86 GAA (0.39) SIGMAR1POLBSMN1; SMN2HTR1AHTR2C
SCHEMBL16825972 0.85 LMNA (0.51) GAALMNA
SCHEMBL16825908 0.84 SIGMAR1 (0.57) SIGMAR1HRH4GAAHTR6
SCHEMBL16825881 0.83 KDM4E (0.52) HTR1AHTR2CGAA
SCHEMBL16826194 0.83 ALDH1A1 (0.50) POLBSMN1; SMN2HRH4GAAHTR6
SCHEMBL16826410 0.82 GAA (0.62) SIGMAR1HTR1AHTR2CGAALMNA
SCHEMBL16826336 0.81 TNKS (0.50) POLBGAA
SCHEMBL16825870 0.80 ALDH1A1 (0.51) HRH4GAALMNA
SCHEMBL16825711 0.80 USP2 (0.47) SMN1; SMN2HRH4GAAFAAH
SCHEMBL10860653 0.80 SIGMAR1 (0.54) SIGMAR1POLBSMN1; SMN2HTR1AHTR2C

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 1951/4885POLB 3344/4885SMN1; SMN2 4335/4885

“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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