SCHEMBL31016709

SCHEMBL31016709

CC1(C)CN(C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)CC3)C2)c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.44
▸ GPR183 P32249 3/20 0.43
▸ PRKAA2 P54646 1/20 0.42
▸ CYP2D6 P10635 7/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL27228300 1.00 CHRM2 (0.44) CHRM2GPR183PRKAA2CYP2D6CYP3A4
SCHEMBL27228311 0.92 CHRM2 (0.53) CHRM2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL31016691 0.90 CYP2D6 (0.46) CHRM2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL27228352 0.90 CYP2D6 (0.46) CHRM2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL31016698 0.88 GPR6 (0.37) CHRM2PRKAA2CYP2D6CYP3A4CYP2C19
SCHEMBL27228323 0.88 CYP2C9 (0.53) CYP2D6CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL31016665 0.88 CYP2C9 (0.53) CYP2D6CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL27228654 0.88 GPR6 (0.37) CHRM2PRKAA2CYP2D6CYP3A4CYP2C19
SCHEMBL27228577 0.88 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL31016707 0.87 CHRM2 (0.37) CHRM2CYP2D6CYP3A4CYP2C19CYP2C9

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 1 patent. 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 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 205/4885GPR183 329/4885PRKAA2 780/4885

“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.

Send feedback