SCHEMBL26949210

SCHEMBL26949210

C=C1CCN(c2cc(C(=O)N3CCC4(CCNCC4)CC3)ccc2OC)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.49
▸ GABRA1 P14867 3/20 0.49
▸ GABRB1 P18505 3/20 0.49
▸ GABRA5 P31644 3/20 0.49
▸ GABRA3 P34903 3/20 0.49
▸ GABRA2 P47869 3/20 0.49
▸ GABRB2 P47870 3/20 0.49
▸ GABRA4 P48169 3/20 0.49
▸ DRD2 P14416 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21408866 0.90 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30267496 0.90 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21409353 0.82 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL31138071 0.82 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL25596253 0.81 NR3C1 (0.44) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21408934 0.81 KCNH2 (0.44) KDM4E
SCHEMBL25904549 0.81 NR3C1 (0.44) KDM4E
SCHEMBL24735010 0.81 NR3C1 (0.47) —
SCHEMBL29841507 0.81 NR3C1 (0.47) —
Hydrochloric Acid SCHEMBL29841613 0.80 NR3C1 (0.46) —

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-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2023-12-14 — — 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-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN GABRD 2413/4885GABRA1 2007/4885GABRB1 2343/4885

“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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