SCHEMBL16826340

SCHEMBL16826340

Nc1n[nH]c(N2CCN(CCOc3ccc(Br)cc3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 2/20 0.67
▸ CHIT1 Q13231 1/20 0.67
▸ LTA4H P09960 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ TSHR P16473 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ DRD3 P35462 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ KCNA5 P22460 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL16825716 0.95 CHIA (0.62) CHIACHIT1LTA4HPTGS2TSHR
SCHEMBL16825820 0.88 CHIT1 (0.52) CHIACHIT1LTA4HDRD3KDM4E
SCHEMBL16825821 0.88 CHIT1 (0.52) CHIACHIT1LTA4HPTGS2TSHR
SCHEMBL16825681 0.88 CHIT1 (0.52) CHIACHIT1LTA4HSLC6A2SLC6A4
SCHEMBL18135548 0.88 CHIT1 (0.52) CHIACHIT1DRD3KDM4EKCNA5
SCHEMBL16825744 0.88 CHIT1 (0.51) CHIACHIT1LTA4HDRD3KCNA5
SCHEMBL16826290 0.86 CHIA (0.54) CHIACHIT1LTA4HPTGS2TSHR
SCHEMBL16825773 0.83 SLC6A2 (0.61) CHIACHIT1SLC6A2SLC6A4DRD3
SCHEMBL16825794 0.82 CHIA (0.50) CHIACHIT1LTA4HPTGS2SLC6A2
SCHEMBL16826405 0.81 DRD2 (0.59) DRD3

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 CHIA 2/4885CHIT1 11/4885LTA4H 145/4885

“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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