SCHEMBL27228273

SCHEMBL27228273

CC1(C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.53
▸ DRD4 P21917 4/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ DPP7 Q9UHL4 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ PRKAB2 O43741 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PRKAG3 Q9UGI9 1/20 0.48
▸ PRKAG2 Q9UGJ0 1/20 0.48
▸ PRKAB1 Q9Y478 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DCUN1D1 Q96GG9 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
SCHEMBL27228319 0.92 PRKAA2 (0.51) SIGMAR1DRD3PRKAA2MCHR1
SCHEMBL27228384 0.91 SIGMAR1 (0.41) SIGMAR1DRD4DRD2DRD3DPP7
SCHEMBL27228362 0.89 SIGMAR1 (0.53) SIGMAR1POLBKMT2AMCHR1DCUN1D1
SCHEMBL27228282 0.89 CHRM2 (0.45) SIGMAR1DRD4DRD2DRD3DPP7
SCHEMBL27228677 0.87 DPP7 (0.51) SIGMAR1DRD4DRD2DRD3DPP7
SCHEMBL31016681 0.87 SIGMAR1 (0.52) SIGMAR1DRD4DRD2POLBMCHR1
SCHEMBL27228378 0.87 SIGMAR1 (0.52) SIGMAR1DRD4DRD2POLBMCHR1
SCHEMBL27228599 0.87 ACHE (0.50) —
SCHEMBL27228342 0.85 SIGMAR1 (0.51) SIGMAR1DRD4DPP7POLBPRKAB2
SCHEMBL27228648 0.83 DRD4 (0.48) SIGMAR1DRD4DRD2DPP7POLB

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 2 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 claimed
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

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 SIGMAR1 1/4885DRD4 158/4885DRD2 53/4885

“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.

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