SCHEMBL3396517

SCHEMBL3396517

Nc1ccc(CN2CC(O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.61
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.52
FUCA1 P04066 2/20 0.47
SIGMAR1 Q99720 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
BRD4 O60885 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
SCHEMBL3935867 0.85 ALDH1A1 (0.57) GBA1ALDH1A1LMNASIGMAR1HRH3
SCHEMBL3935123 0.85 ALDH1A1 (0.57) GBA1ALDH1A1LMNASIGMAR1HRH3
SCHEMBL188289 0.85 ALDH1A1 (0.57) GBA1ALDH1A1LMNASIGMAR1HRH3
SCHEMBL1955800 0.83 ALDH1A1 (0.71) GBA1ALDH1A1LMNA
SCHEMBL2918814 0.82 ALDH1A1 (0.53) ALDH1A1FUCA1SIGMAR1HRH4HRH3
SCHEMBL3158673 0.81 ALDH1A1 (0.61) GBA1ALDH1A1LMNASIGMAR1HRH3
SCHEMBL17284215 0.80 ALDH1A1 (0.55) GBA1ALDH1A1LMNAFUCA1SIGMAR1
SCHEMBL2920097 0.80 GBA1 (0.61) GBA1ALDH1A1LMNAFUCA1HRH4
SCHEMBL2922811 0.80 S1PR5 (0.50) ALDH1A1FUCA1SIGMAR1S1PR5
SCHEMBL18587341 0.80 FUCA1 (0.47) GBA1ALDH1A1FUCA1SIGMAR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 GBA1 1698/4885ALDH1A1 3960/4885LMNA 4192/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 GBA1 826/4885ALDH1A1 1389/4885LMNA 3429/4885

“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.