SCHEMBL27228362

SCHEMBL27228362

CC1(C)CN(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.53
▸ CCR3 P51677 7/20 0.47
▸ UBE2M P61081 1/20 0.47
▸ DCUN1D1 Q96GG9 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM3 P20309 1/20 0.44

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 0.90 PRKAA2 (0.51) SIGMAR1CCR3MCHR1AKT1
SCHEMBL31016681 0.90 SIGMAR1 (0.52) SIGMAR1CCR3ALDH1A1POLBMCHR1
SCHEMBL27228378 0.90 SIGMAR1 (0.52) SIGMAR1CCR3ALDH1A1POLBMCHR1
SCHEMBL27228273 0.89 SIGMAR1 (0.53) SIGMAR1DCUN1D1POLBKMT2AMCHR1
SCHEMBL31016658 0.89 SIGMAR1 (0.52) SIGMAR1CCR3UBE2MDCUN1D1ALDH1A1
SCHEMBL27228675 0.89 SIGMAR1 (0.52) SIGMAR1CCR3UBE2MDCUN1D1ALDH1A1
SCHEMBL27228342 0.82 SIGMAR1 (0.51) SIGMAR1CCR3ALDH1A1POLBKMT2A
SCHEMBL27228384 0.80 SIGMAR1 (0.41) SIGMAR1UBE2MDCUN1D1AKT1CHRM1
SCHEMBL29913679 0.80 CHRM2 (0.50) SIGMAR1ALDH1A1KMT2ACHRM2CHRM3
SCHEMBL31016691 0.79 CYP2D6 (0.46) ALDH1A1KMT2ACHRM2CHRM3

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 1/4885CCR3 2368/4885UBE2M 4476/4885

“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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