SCHEMBL16836933

SCHEMBL16836933

N[C@@H](Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.62
PDE10A Q9Y233 1/20 0.58
SCN10A Q9Y5Y9 3/20 0.53
NLN Q9BYT8 5/20 0.50
MASP2 O00187 1/20 0.49
F11 P03951 1/20 0.48
KLKB1 P03952 1/20 0.48
NPY5R Q15761 1/20 0.46
SCN2A Q99250 1/20 0.46
HPGDS O60760 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
SCHEMBL18241797 0.84 SSTR1 (0.47) SSTR1SCN10AF11KLKB1
Hydrochloric Acid SCHEMBL17008908 0.83 SSTR1 (0.47) SSTR1SCN10AF11KLKB1
Hydrochloric Acid SCHEMBL17008937 0.83 SSTR1 (0.47) SSTR1SCN10AF11KLKB1
SCHEMBL17022187 0.80 F11 (0.51) SSTR1SCN10AF11KLKB1
SCHEMBL1196577 0.79 CYP1A2 (0.43) SSTR1PDE10ASCN10ANLN
Hydrochloric Acid SCHEMBL29758961 0.79 F11 (0.50) SSTR1SCN10AF11KLKB1
Hydrochloric Acid SCHEMBL29758967 0.79 F11 (0.50) SSTR1SCN10AF11KLKB1
SCHEMBL4324766 0.77 SSTR1 (1.00) SSTR1
SCHEMBL20900140 0.77 MASP2 (0.55) SSTR1PDE10AMASP2NPY5RSCN2A
SCHEMBL18480825 0.77 MASP2 (0.55) SSTR1PDE10AMASP2NPY5RSCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
EP-3082877-B1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2019-08-28 EP disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-08-30 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
EP-3310813-A1 ANTIBODY DRUG CONJUGATES Novartis AG (CH) 2018-04-25 EP disclosed
WO-2016203432-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2016-12-22 WO disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
EP-3082877-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2016-10-26 EP disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 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 (5 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP SSTR1 1111/4885PDE10A 4361/4885SCN10A 4094/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM SSTR1 4833/4885PDE10A 3965/4885SCN10A 3270/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP SSTR1 1111/4885PDE10A 4361/4885SCN10A 4094/4885
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP SSTR1 1111/4885PDE10A 4361/4885SCN10A 4094/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP SSTR1 1111/4885PDE10A 4361/4885SCN10A 4094/4885

“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.