SCHEMBL26949131

SCHEMBL26949131

CC(C)N1CCC(OCCN2CCN(C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ HRH3 Q9Y5N1 15/20 0.51
▸ VCP P55072 1/20 0.44
▸ TP53 P04637 1/20 0.35

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
SCHEMBL22520618 0.93 NPC1 (0.56) NPC1HRH3VCP
SCHEMBL18389833 0.88 NPC1 (0.58) NPC1HRH3VCP
SCHEMBL25571582 0.86 NPC1 (0.64) NPC1HRH3VCPTP53
SCHEMBL26949128 0.85 NPC1 (0.47) NPC1HRH3VCP
SCHEMBL24475400 0.84 NPC1 (0.50) NPC1HRH3VCP
SCHEMBL13741291 0.84 HRH3 (0.51) NPC1HRH3VCP
SCHEMBL27013338 0.84 NPC1 (0.50) NPC1HRH3VCP
SCHEMBL24233184 0.84 NPC1 (0.46) NPC1HRH3VCP
SCHEMBL18713115 0.84 NPC1 (0.67) NPC1HRH3TP53
SCHEMBL24475383 0.83 NPC1 (0.44) NPC1HRH3VCP

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-20240018123-A1 COMPOUND FOR INHIBITING OR DISINTEGRATING ANDROGEN RECEPTOR, AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-01-18 — — US disclosed
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 (2 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 NPC1 191/4885HRH3 531/4885VCP 3714/4885
US-20240018123-A1 COMPOUND FOR INHIBITING OR DISINTEGRATING ANDROGEN RECEPTOR, AND PHARMACEUTICAL USE THEREOF AR, NR5A1, SHBG NPC1 477/4885HRH3 2037/4885VCP 1096/4885

“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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