SCHEMBL27228601

SCHEMBL27228601

Cc1ccc2c(n1)C(C)(C)CN2C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.50
▸ MCHR1 Q99705 7/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ CCR3 P51677 9/20 0.43
▸ POLB P06746 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR2A P28223 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
SCHEMBL31016697 1.00 SIGMAR1 (0.50) SIGMAR1MCHR1ALDH1A1CCR3POLB
SCHEMBL27228349 0.90 PRKAA2 (0.51) SIGMAR1MCHR1CCR3HTR2A
SCHEMBL31016658 0.89 SIGMAR1 (0.52) SIGMAR1MCHR1ALDH1A1CCR3POLB
SCHEMBL27228675 0.89 SIGMAR1 (0.52) SIGMAR1MCHR1ALDH1A1CCR3POLB
SCHEMBL31016681 0.88 SIGMAR1 (0.52) SIGMAR1MCHR1ALDH1A1CCR3POLB
SCHEMBL27228378 0.88 SIGMAR1 (0.52) SIGMAR1MCHR1ALDH1A1CCR3POLB
SCHEMBL31016690 0.87 SIGMAR1 (0.51) SIGMAR1MCHR1CCR3DRD4
SCHEMBL27228293 0.87 SIGMAR1 (0.51) SIGMAR1MCHR1CCR3DRD4
SCHEMBL27228677 0.86 DPP7 (0.51) SIGMAR1POLBDRD2DRD4
SCHEMBL27228579 0.84 PRKAA2 (0.53) MCHR1

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 1/4885MCHR1 203/4885ALDH1A1 864/4885

“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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