SCHEMBL16826407

SCHEMBL16826407

Nc1n[nH]c(N2CCN(CCCc3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 12/20 0.58
▸ POLB P06746 1/20 0.53

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
SCHEMBL16825857 0.92 HTR1A (0.55) SIGMAR1
SCHEMBL16826398 0.84 LTA4H (0.50) SIGMAR1
SCHEMBL16826410 0.83 GAA (0.62) SIGMAR1
SCHEMBL16826405 0.82 DRD2 (0.59) SIGMAR1
SCHEMBL16825679 0.81 HTR1A (0.54) SIGMAR1
SCHEMBL11203954 0.79 SIGMAR1 (0.58) SIGMAR1POLB
SCHEMBL16825744 0.78 CHIT1 (0.51) SIGMAR1
SCHEMBL6550825 0.76 SIGMAR1 (1.00) SIGMAR1POLB
SCHEMBL2962629 0.76 SIGMAR1 (1.00) SIGMAR1POLB
SCHEMBL7718541 0.74 SIGMAR1 (1.00) SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN claimed
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
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN 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 3344/4885

“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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