SCHEMBL8026865

SCHEMBL8026865

CN1CC=C(c2cn[nH]c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.51
▸ SLC6A4 P31645 2/20 0.43

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
SCHEMBL18956065 0.76 KCNH2 (0.51) QDPRSLC6A4
SCHEMBL24782984 0.75 QDPR (0.50) QDPR
Hydrochloric Acid SCHEMBL18955818 0.75 KCNH2 (0.50) QDPRSLC6A4
SCHEMBL8283654 0.74 QDPR (0.56) QDPR
SCHEMBL31718158 0.73 QDPR (0.63) QDPR
Hydrochloric Acid SCHEMBL28887623 0.73 QDPR (0.44) QDPRSLC6A4
SCHEMBL25742872 0.73 KCNH2 (0.41) QDPRSLC6A4
SCHEMBL16118259 0.72 NAMPT (0.52) —
SCHEMBL8584852 0.72 QDPR (0.50) QDPRSLC6A4
SCHEMBL8172220 0.72 QDPR (0.62) QDPR

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-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 — — US disclosed
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 — — WO 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-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF AR, CYP17A1, KLK3 QDPR 465/4885SLC6A4 2419/4885

“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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