SCHEMBL27228293

SCHEMBL27228293

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.51
▸ DRD4 P21917 2/20 0.50
▸ MCHR1 Q99705 4/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ UBE2M P61081 1/20 0.45
▸ DCUN1D1 Q96GG9 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ ACKR3 P25106 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SLC6A12 P48065 1/20 0.43

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
SCHEMBL31016690 1.00 SIGMAR1 (0.51) SIGMAR1DRD4MCHR1CCR3UBE2M
SCHEMBL27228677 0.91 DPP7 (0.51) SIGMAR1DRD4DCUN1D1SLC6A12
SCHEMBL27228675 0.90 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3UBE2MDCUN1D1
SCHEMBL31016658 0.90 SIGMAR1 (0.52) SIGMAR1MCHR1CCR3UBE2MDCUN1D1
SCHEMBL31016669 0.87 MCHR1 (0.49) DRD4MCHR1CCR3ACKR3
SCHEMBL27228329 0.87 MCHR1 (0.49) DRD4MCHR1CCR3ACKR3
SCHEMBL31016697 0.87 SIGMAR1 (0.50) SIGMAR1DRD4MCHR1CCR3
SCHEMBL27228601 0.87 SIGMAR1 (0.50) SIGMAR1DRD4MCHR1CCR3
SCHEMBL27232294 0.87 DRD4 (0.48) SIGMAR1DRD4MCHR1CCR3MAPK1
SCHEMBL27228648 0.87 DRD4 (0.48) SIGMAR1DRD4MCHR1CCR3MAPK1

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 158/4885MCHR1 203/4885

“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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