SCHEMBL29913609

SCHEMBL29913609

CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
BACE1 P56817 1/20 0.38
CTSK P43235 3/20 0.37
CTSS P25774 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CCR5 P51681 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL27438721 0.86 TRPM8 (0.40) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31016678 0.83 GAA (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL31016664 0.83 GAA (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL7408450 0.83 GAA (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL20576291 0.83 KCNA5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4BACE1
SCHEMBL29913365 0.82 TRPM8 (0.46) TRPM8CTSKCTSSLMNACYP1A2
SCHEMBL27855088 0.81 NR1H2 (0.44) CTSKCTSSLMNACYP1A2CYP2D6
SCHEMBL628088 0.81 NR1H2 (0.44) CTSKCTSSLMNACYP1A2CYP2D6
SCHEMBL28936909 0.76 CYP1A2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL7970722 0.75 TRPM8 (0.42) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 US disclosed
CN-117480161-A Novel 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives as sigma ligands 塔拉森调理公司 2024-01-30 CN disclosed
EP-4305029-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-01-17 EP disclosed
WO-2022189392-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-09-15 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 (1 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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands SIGMAR1, OPRD1, TMEM97 TRPM8 972/4885CHRNB2 61/4885CHRNB4 110/4885

“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.