SCHEMBL3756602

SCHEMBL3756602

COc1ccc2cccnc2c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.51
HCRTR1 O43613 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.49
PDE10A Q9Y233 1/20 0.47
HCRTR2 O43614 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GMNN O75496 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
SCHEMBL16040600 0.85 KMT2A (0.53) LMNAMAPTMEN1KMT2APOLB
SCHEMBL17584614 0.80 ALDH1A1 (0.46) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11430231 0.79 LMNA (0.56) SLC40A1LMNAMAPTMEN1KMT2A
Acetic Acid SCHEMBL8159401 0.78 PDE10A (0.60) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL20659672 0.77 CA12 (0.50) SLC40A1LMNAMAPTCA12CA1
SCHEMBL69869 0.77 ALDH1A1 (0.70) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL1507898 0.77 HTT (0.55) SLC40A1LMNAMAPTMEN1KMT2A
SCHEMBL16040593 0.77 ALDH1A1 (0.60) SLC40A1LMNAMAPTCA12CA1
SCHEMBL31057838 0.77 ALDH1A1 (0.60) SLC40A1LMNAMAPTCA12CA1
SCHEMBL29906219 0.77 ALDH1A1 (0.70) LMNAMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
EP-3622956-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
EP-3622956-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
EP-3622956-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2020-03-18 EP disclosed
EP-3622956-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2020-03-18 EP disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
WO-2014165065-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed
WO-2014159591-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 WO disclosed
US-20140275095-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275118-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275118-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275118-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20100305154-A1 Prolyl Hydroxylase Inhibitors GLAXOSMITHKLINE LLC 2010-12-02 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-20140275095-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY1R SLC40A1 943/4885LMNA 3564/4885MAPT 4243/4885
US-20100305154-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 SLC40A1 198/4885LMNA 3289/4885MAPT 4598/4885
US-20140275118-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY2R SLC40A1 1778/4885LMNA 3728/4885MAPT 4270/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R SLC40A1 2493/4885LMNA 3404/4885MAPT 4033/4885

“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.