SCHEMBL16826398

SCHEMBL16826398

Nc1n[nH]c(N2CCN(CCOCc3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.50
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NCF1 P14598 1/20 0.45
▸ TEAD3 Q99594 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR2A P28223 4/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38
▸ DRD3 P35462 1/20 0.38

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
SCHEMBL16826407 0.84 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16825857 0.83 HTR1A (0.55) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL16825744 0.82 CHIT1 (0.51) LTA4HHTR2AHTR1ADRD2SIGMAR1
SCHEMBL16826405 0.81 DRD2 (0.59) HTR2AHTR1ADRD2SIGMAR1DRD3
SCHEMBL16825679 0.81 HTR1A (0.54) HTR2AHTR1ADRD2SIGMAR1DRD3
SCHEMBL16826410 0.80 GAA (0.62) GAAMEN1KMT2ADRD4HTR2C
SCHEMBL26981197 0.78 LTA4H (0.75) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL19557301 0.78 LTA4H (0.75) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL16826297 0.77 LMNA (0.58) MEN1KMT2AHTR1AHTR7
SCHEMBL16825814 0.76 TSHR (0.55) MEN1KMT2AHTR2CHTR2AHTR1A

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 11 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-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
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US 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
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 LTA4H 145/4885GAA 195/4885MEN1 2231/4885

“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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