SCHEMBL26436409

SCHEMBL26436409

CCN1CCC(C2CCN(CC(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.38
GNAI3 P08754 3/20 0.36
GNAO1 P09471 3/20 0.36
GNAI1 P63096 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14706856 0.89 PIK3CD (0.45) PIK3CDHRH3SMN1; SMN2CYP2D6GNAI3
SCHEMBL22318587 0.88 PIK3CD (0.42) PIK3CDHRH3SMN1; SMN2CYP2D6GNAI3
SCHEMBL22013047 0.84 PIK3CD (0.52) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL22300882 0.84 PIK3CD (0.52) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL7907337 0.84 PIK3CD (0.52) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL14328666 0.84 PIK3CD (0.52) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL24940791 0.83 PIK3CD (0.42) PIK3CDHRH3SMN1; SMN2CYP2D6GNAI3
SCHEMBL22790838 0.83 HRH3 (0.39) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL24755017 0.83 GNAI3 (0.48) PIK3CDHRH3SMN1; SMN2CYP2D6GNAI3
SCHEMBL23134534 0.82 HRH3 (0.48) PIK3CDHRH3SMN1; SMN2CYP2D6

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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 PIK3CD 44/4885HRH3 801/4885SMN1; SMN2 4714/4885

“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.