SCHEMBL2036780

SCHEMBL2036780

COC(OC)c1ccnc(NC(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.43
FSHR P23945 1/20 0.43
ATM Q13315 1/20 0.43
MGLL Q99685 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2054222 0.82 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18640773 0.80 POLB (0.65) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21797166 0.78 CDC7 (0.46) NPC1RAB9AMAPTTSHRATM
SCHEMBL2036049 0.78 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL20550483 0.77 POLB (0.51) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20550759 0.76 POLB (0.48) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20550764 0.74 GRM4 (0.47) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21797180 0.74 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3268727 0.72 NPC1 (0.58) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29841936 0.72 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619204-B1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES TIANLI BIOTECH PTY LTD (AU) 2025-10-01 EP disclosed
US-20220380343-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES TIANLI BIOTECH PTY LTD (AU) 2022-12-01 US disclosed
US-20200079757-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES THE UNIVERSITY OF MELBOURNE (AU) 2020-03-12 US disclosed
EP-3619204-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES The University of Melbourne (AU) 2020-03-11 EP disclosed
CN-110753688-A Compounds for the treatment of respiratory diseases 墨尔本大学 2020-02-04 CN disclosed
WO-2018201192-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES THE UNIVERSITY OF MELBOURNE (AU) 2018-11-08 WO disclosed
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
EP-2516397-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS MSD Oss B.V. (NL) 2012-10-31 EP disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
WO-2011076723-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS N.V. ORGANON (NL) 2011-06-30 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 (3 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-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS HCN1, HCN3, HCN2 POLB 3931/4885NPC1 724/4885RAB9A 1269/4885
US-20220380343-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES LTC4S, LTB4R2, LTB4R POLB 1332/4885NPC1 297/4885RAB9A 2285/4885
US-20200079757-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES LTC4S, LTB4R2, LTB4R POLB 1332/4885NPC1 297/4885RAB9A 2285/4885

“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.