SCHEMBL27228271

SCHEMBL27228271

CC1(C)CN(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ GSK3B P49841 2/20 0.46
▸ GRIN2B Q13224 3/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ FAAH O00519 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.42
▸ CCR3 P51677 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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 1.00 HTR4 (0.47) HTR4HTR2AGSK3BGRIN2BLTA4H
SCHEMBL27228599 0.92 ACHE (0.50) FAAHBCHEACHE
SCHEMBL27228377 0.88 CACNA1I (0.50) HTR4HTR2ALTA4HLIPG
SCHEMBL27228335 0.87 LIPG (0.42) HTR4HTR2ALIPG
SCHEMBL29913675 0.81 EIF4E (0.43) HTR4
SCHEMBL29913481 0.79 KDM4E (0.52) KDM4E
SCHEMBL30728155 0.79 KDM4E (0.52) KDM4E
SCHEMBL27228273 0.78 SIGMAR1 (0.53) SIGMAR1
SCHEMBL23123778 0.76 CCR3 (0.61) HTR4HTR2ALTA4HFAAHBCHE
SCHEMBL27228659 0.75 SIGMAR1 (0.52) HTR2ALTA4HSIGMAR1

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 HTR4 78/4885HTR2A 40/4885GSK3B 953/4885

“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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