SCHEMBL13196326

SCHEMBL13196326

C=CC1=NCCN1CCC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL28255318 0.84
SCHEMBL16212615 0.72 MGLL (0.36)
SCHEMBL21195136 0.72 MGLL (0.36)
SCHEMBL14255598 0.71
SCHEMBL6780768 0.69
SCHEMBL6780773 0.69
SCHEMBL8106145 0.68 CYP1A2 (0.42) LMNATSHR
SCHEMBL7337061 0.67 CYP1A2 (0.38) LMNATSHR
Hydrochloric Acid SCHEMBL19667902 0.66 MEN1 (0.33)
Hydrochloric Acid SCHEMBL15476103 0.66 MEN1 (0.33)

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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B LMNA 3776/4885TSHR 4020/4885NOS1 3975/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC LMNA 3795/4885TSHR 4633/4885NOS1 3304/4885

“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.