SCHEMBL27228342

SCHEMBL27228342

CC1(C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(F)cnc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.51
▸ SLC6A12 P48065 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ CCR3 P51677 2/20 0.49
▸ DPP7 Q9UHL4 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DRD4 P21917 1/20 0.47

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
SCHEMBL27228273 0.85 SIGMAR1 (0.53) SIGMAR1MCHR1DPP7POLBKMT2A
SCHEMBL27228319 0.83 PRKAA2 (0.51) SIGMAR1SLC6A12TMEM97MCHR1CCR3
SCHEMBL27228362 0.82 SIGMAR1 (0.53) SIGMAR1MCHR1CCR3ALDH1A1POLB
SCHEMBL27228677 0.80 DPP7 (0.51) SIGMAR1SLC6A12DPP7POLBKMT2A
SCHEMBL29913618 0.79 CHRM2 (0.47) SIGMAR1ALDH1A1DRD4
SCHEMBL31016681 0.79 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3ALDH1A1POLB
SCHEMBL27228378 0.79 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3ALDH1A1POLB
SCHEMBL31016658 0.78 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3ALDH1A1POLB
SCHEMBL27228675 0.78 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3ALDH1A1POLB
SCHEMBL27228608 0.78 DPP7 (0.48) SIGMAR1SLC6A12MCHR1DPP7POLB

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 1/4885SLC6A12 3213/4885TMEM97 3/4885

“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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