SCHEMBL296132

SCHEMBL296132

C[C@](N)(Nc1cccnc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PKM P14618 1/20 0.50
NAMPT P43490 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PRKCI P41743 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29396801 1.00 NPC1 (0.50) NPC1RAB9APKMNAMPTSMN1; SMN2
Carbamic Acid SCHEMBL28798472 0.83 NPC1 (0.53) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL1339748 0.81 NAPRT (0.43) NPC1RAB9ASMN1; SMN2LMNAHIF1A
SCHEMBL296522 0.80 MDM2 (0.44) RAB9APRKCIALDH1A1KDM4ELMNA
SCHEMBL15943547 0.76 NPC1 (0.46) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL2733293 0.75 RAB9A (0.47) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL8817823 0.75 NAMPT (0.50) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL4855558 0.75 ALDH1A1 (0.44) NPC1RAB9APKMALDH1A1LMNA
SCHEMBL7041466 0.72 NAMPT (0.52) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL6979885 0.71 CYP1A2 (0.54) NPC1RAB9AALDH1A1LMNA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023378-B2 Covalently linked antigen-antibody conjugates HOFFMANN-LA ROCHE INC. (US) 2024-07-02 US disclosed
EP-4389772-A1 TARGETED DELIVERY OF THERAPEUTIC ENZYMES Joint-Stock Company "Generium" (RU) 2024-06-26 EP disclosed
EP-3089996-B1 BISPECIFIC ANTI-HAPTEN/ANTI-BLOOD BRAIN BARRIER RECEPTOR ANTIBODIES, COMPLEXES THEREOF AND THEIR USE AS BLOOD BRAIN BARRIER SHUTTLES HOFFMANN LA ROCHE (CH) 2021-07-28 EP disclosed
US-20210069338-A1 BISPECIFIC ANTI-HAPTEN/ANTI-BLOOD BRAIN BARRIER RECEPTOR ANTIBODIES, COMPLEXES THEREOF AND THEIR USE AS BLOOD BRAIN BARRIER SHUTTLES HOFFMANN-LA ROCHE INC. 2021-03-11 US disclosed
EP-3138580-B1 COVALENTLY LINKED ANTIGEN-ANTIBODY CONJUGATES HOFFMANN LA ROCHE (CH) 2021-03-03 EP disclosed
EP-3089758-B1 COVALENTLY LINKED HELICAR-ANTI-HELICAR ANTIBODY CONJUGATES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10806795-B2 Bispecific anti-hapten/anti-blood brain barrier receptor antibodies, complexes thereof and their use as blood brain barrier shuttles HOFFMANN-LA ROCHE INC. (US) 2020-10-20 US disclosed
US-20200164064-A1 COVALENTLY LINKED ANTIGEN-ANTIBODY CONJUGATES HOFFMANN-LA ROCHE INC. (US) 2020-05-28 US disclosed
US-10561737-B2 Bispecific anti-hapten/anti-blood brain barrier receptor antibodies, complexes thereof and their use as blood brain barrier shuttles HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-10407511-B2 Covalently linked helicar-anti-helicar antibody conjugates and uses thereof HOFFMANN-LA ROCHE INC. (US) 2019-09-10 US disclosed
EP-2661282-A1 A PHARMACEUTICAL COMPOSITION OF A COMPLEX OF AN ANTI-DIG ANTIBODY AND DIGOXIGENIN THAT IS CONJUGATED TO A PEPTIDE F.HOFFMANN-LA ROCHE AG (CH) 2013-11-13 EP disclosed
US-20130280279-A1 PHARMACEUTICAL COMPOSITION OF A COMPLEX OF AN ANTI-DIG ANTIBODY AND DIGOXIGENIN THAT IS CONJUGATED TO A PEPTIDE HOFFMANN LA ROCHE (US) 2013-10-24 US disclosed
US-8268784-B2 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
WO-2012093068-A1 A PHARMACEUTICAL COMPOSITION OF A COMPLEX OF AN ANTI-DIG ANTIBODY AND DIGOXIGENIN THAT IS CONJUGATED TO A PEPTIDE F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 WO disclosed
EP-1962959-B1 NEUROPEPTIDE-2 RECEPTOR-AGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20100137223-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF CONDE-KNAPE KARIN 2010-06-03 US disclosed
US-7642244-B2 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof HOFFMANN-LA ROCHE INC. (US) 2010-01-05 US disclosed
EP-1962959-A2 NEUROPEPTIDE-2 RECEPTOR-AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007065808-A2 NEUROPEPTIDE-2 RECEPTOR-AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
US-20070135351-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof CONDE-KNAPE KARIN 2007-06-14 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-20070135351-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof NPY2R, NPY1R, NPY4R NPC1 1952/4885RAB9A 2609/4885PKM 2676/4885
US-20100137223-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF NPY2R, NPY1R, NPY5R NPC1 3833/4885RAB9A 1819/4885PKM 2010/4885

“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.