SCHEMBL27228290

SCHEMBL27228290

CC1(C)CN(C(=O)N2CC3(CCN(Cc4ccccc4)CC3)C2)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.52
▸ CYP2D6 P10635 13/20 0.48
▸ CYP3A4 P08684 11/20 0.48
▸ TSHR P16473 3/20 0.48
▸ CYP2C19 P33261 3/20 0.47
▸ CHRM3 P20309 1/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ USP2 O75604 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL27228311 0.95 CHRM2 (0.53) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL31016709 0.87 CHRM2 (0.44) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL27228300 0.87 CHRM2 (0.44) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL31016691 0.84 CYP2D6 (0.46) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL27228323 0.84 CYP2C9 (0.53) CYP2D6CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL27228352 0.84 CYP2D6 (0.46) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL31016665 0.84 CYP2C9 (0.53) CYP2D6CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL27228582 0.82 CYP2D6 (0.49) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL31016653 0.82 GPR6 (0.42) CHRM2CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL31016701 0.82 KDM4E (0.42) CHRM2CYP2D6CYP3A4TSHRALDH1A1

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 CHRM2 205/4885CYP2D6 438/4885CYP3A4 869/4885

“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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