SCHEMBL16574766

SCHEMBL16574766

CN(C)C(Cn1nnc2ccccc21)=[N+](C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 5/20 0.53
▸ GAA P10253 9/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ MGAM O43451 7/20 0.51
▸ AMY1A P0DUB6 7/20 0.51
▸ SI P14410 7/20 0.51
▸ MGAM2 Q2M2H8 7/20 0.51
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GRM2 Q14416 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL13139601 0.79 FAAH (0.36) SLC9A1GAA
SCHEMBL16578183 0.79 SLC9A1 (0.56) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL1516284 0.75 FAAH (0.34) SLC9A1GAA
SCHEMBL1689837 0.73 GAA (0.67) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL29479841 0.73 SLC9A1 (0.61) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL16286769 0.73 GAA (0.67) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL2490940 0.73 SLC9A1 (0.61) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL283984 0.73 SLC9A1 (0.65) SLC9A1GAARAB9AMGAMAMY1A
SCHEMBL3371897 0.71 GAA (0.57) GAARAB9AMGAMAMY1ASI
Trimethylammonium SCHEMBL28971614 0.71 SLC9A1 (0.86) SLC9A1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2023-08-22 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — 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 (2 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-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents PCNA, EPCAM, MKI67 SLC9A1 1641/4885GAA 255/4885RAB9A 3111/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R SLC9A1 4308/4885GAA 1064/4885RAB9A 3143/4885

“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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