SCHEMBL14944915

SCHEMBL14944915

C[C@@H](N)Cc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.50
▸ SLC6A2 P23975 5/20 0.50
▸ SLC6A3 Q01959 3/20 0.50
▸ SLC6A4 P31645 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48

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
SCHEMBL14478289 1.00 TAAR1 (0.50) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL26026211 0.85 ALB (0.44) —
SCHEMBL17874878 0.80 SLC7A5 (0.41) —
SCHEMBL16728135 0.80 SLC7A5 (0.41) —
SCHEMBL29017817 0.78 CA1 (0.44) —
SCHEMBL20553240 0.78 CA1 (0.48) TAAR1
SCHEMBL13934589 0.78 TAAR1 (0.50) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL15081642 0.77 CA1 (0.39) —
SCHEMBL10872755 0.77 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL10872752 0.77 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP TAAR1 4174/4885SLC6A2 3436/4885SLC6A3 3411/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP TAAR1 4189/4885SLC6A2 3422/4885SLC6A3 3352/4885

“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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