SCHEMBL27228329

SCHEMBL27228329

Cc1ccc2c(n1)C(C)(C)CN2C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.49
▸ PRKAA2 P54646 1/20 0.46
▸ CHRM4 P08173 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ DRD4 P21917 4/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ ACKR3 P25106 2/20 0.42
▸ CCR3 P51677 1/20 0.41
▸ GPR6 P46095 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL31016669 1.00 MCHR1 (0.49) MCHR1PRKAA2CHRM4HRH3JAK2
SCHEMBL27228579 0.90 PRKAA2 (0.53) MCHR1PRKAA2
SCHEMBL31016690 0.87 SIGMAR1 (0.51) MCHR1DRD4ACKR3CCR3
SCHEMBL27228675 0.87 SIGMAR1 (0.52) MCHR1CCR3CHRM3
SCHEMBL27228293 0.87 SIGMAR1 (0.51) MCHR1DRD4ACKR3CCR3
SCHEMBL31016658 0.87 SIGMAR1 (0.52) MCHR1CCR3CHRM3
SCHEMBL27228677 0.87 DPP7 (0.51) DRD4DRD3DRD2
SCHEMBL31016697 0.83 SIGMAR1 (0.50) MCHR1DRD4CCR3DRD2
SCHEMBL27228601 0.83 SIGMAR1 (0.50) MCHR1DRD4CCR3DRD2
SCHEMBL27228653 0.83 DRD4 (0.48) MCHR1DRD4CCR3DRD2

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 MCHR1 203/4885PRKAA2 780/4885CHRM4 467/4885

“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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