SCHEMBL19010013

SCHEMBL19010013

CC(C)[C@H]1COC(c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
MAPT P10636 2/20 0.74
RAB9A P51151 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 3/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL19010019 0.98 NPC1 (0.72) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL14877791 0.90 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7176793 0.90 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL15883113 0.90 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL31048501 0.90 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28701001 0.89 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28674499 0.89 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28700998 0.89 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL27865678 0.89 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL25746568 0.89 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320241-A1 OXYGEN SENSING MATERIALS AND METHODS OF USE CONWAY DAVID JONATHAN (US) 2025-10-16 US disclosed
US-10647733-B2 Metal-organic frameworks containing nitrogen-donor ligands for efficient catalytic organic transformations THE UNIVERSITY OF CHICAGO (US) 2020-05-12 US disclosed
US-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS THE UNIVERSITY OF CHICAGO (US) 2017-06-29 US disclosed
US-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS THE UNIVERSITY OF CHICAGO (US) 2017-06-29 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 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 (4 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY NPC1 4491/4885MAPT 4198/4885RAB9A 3511/4885
US-10647733-B2 Metal-organic frameworks containing nitrogen-donor ligands for efficient catalytic organic transformations NCLN, MDH1, NNMT NPC1 2864/4885MAPT 2571/4885RAB9A 4263/4885
US-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS NCLN, MDH1, NNMT NPC1 2864/4885MAPT 2571/4885RAB9A 4263/4885
US-20250320241-A1 OXYGEN SENSING MATERIALS AND METHODS OF USE MAVS, LPO, DLD NPC1 3736/4885MAPT 4795/4885RAB9A 2518/4885

“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.