SCHEMBL27228599

SCHEMBL27228599

CC1(C)CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.50
▸ FAAH O00519 8/20 0.50
▸ BCHE P06276 5/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ HDAC3 O15379 4/20 0.48
▸ HDAC4 P56524 4/20 0.48
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC7 Q8WUI4 4/20 0.48
▸ HDAC2 Q92769 4/20 0.48
▸ HDAC10 Q969S8 4/20 0.48
▸ HDAC11 Q96DB2 4/20 0.48
▸ HDAC8 Q9BY41 4/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC9 Q9UKV0 4/20 0.48
▸ HDAC5 Q9UQL6 4/20 0.48
▸ CHRM4 P08173 3/20 0.47

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
SCHEMBL31016692 0.92 HTR4 (0.47) ACHEFAAHBCHE
SCHEMBL27228271 0.92 HTR4 (0.47) ACHEFAAHBCHE
SCHEMBL27228273 0.87 SIGMAR1 (0.53) —
SCHEMBL27228377 0.85 CACNA1I (0.50) —
SCHEMBL27228335 0.84 LIPG (0.42) CHRM4
SCHEMBL29913675 0.82 EIF4E (0.43) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL27228384 0.81 SIGMAR1 (0.41) —
SCHEMBL30728155 0.80 KDM4E (0.52) —
SCHEMBL29913481 0.80 KDM4E (0.52) —
SCHEMBL27228282 0.80 CHRM2 (0.45) —

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 ACHE 3838/4885FAAH 1450/4885BCHE 4667/4885

“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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