SCHEMBL18135567

SCHEMBL18135567

Nc1n[nH]c(N2CCN(C(CCc3ccc(Br)cc3)Cc3ccccc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ ACHE P22303 1/20 0.36
▸ MC4R P32245 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CHIT1 Q13231 3/20 0.34
▸ CHIA Q9BZP6 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL16826079 0.93 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ACHEHTT
SCHEMBL16825838 0.82 KDM4E (0.41) CHIT1CHIAKDM4EMEN1KMT2A
SCHEMBL16825723 0.74 CHIA (0.38) SLC6A4SLC6A3ACHECHIT1CHIA
SCHEMBL16825857 0.74 HTR1A (0.55) SLC6A3NPSR1SIGMAR1
Hydrochloric Acid SCHEMBL16825854 0.73 CHIA (0.37) SLC6A4SLC6A3ACHECHIT1CHIA
SCHEMBL16826354 0.72 CHIA (0.59) CHIT1CHIAMEN1KMT2AALDH1A1
SCHEMBL16826407 0.72 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16826410 0.71 GAA (0.62) HTTNPSR1GAAKDM4EMEN1
SCHEMBL14027394 0.70 ALDH1A1 (0.63) SLC6A3HTTNPSR1GAAKDM4E
SCHEMBL16826072 0.69 CHIT1 (0.43) SLC6A2SLC6A4SLC6A3ACHECHIT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC6A2 1970/4885SLC6A4 1877/4885SLC6A3 2406/4885

“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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