SCHEMBL12688317

SCHEMBL12688317

Cc1cc(C)c(CC(=O)N(C)C2(C#N)CCN(N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL12688312 0.93 RAB9A (0.35) MAPTPOLBRAB9AHPGDRXFP1
SCHEMBL15424657 0.85 L3MBTL1 (0.35) ALDH1A1KDM4EHPGDRXFP1L3MBTL1
SCHEMBL1956497 0.84 RXFP1 (0.34) RXFP1L3MBTL1
SCHEMBL12573634 0.83 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL37429 0.82 RXFP1 (0.35) RXFP1L3MBTL1
SCHEMBL12456817 0.80 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL12573601 0.80 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL12691729 0.77 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1POLBRAB9A
SCHEMBL12688302 0.76 L3MBTL1 (0.36) RXFP1L3MBTL1
SCHEMBL14768892 0.76 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1POLBTDP1

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-20120245026-A1 SPIRO FUSED 1-AMINO - PIPERDINE PYRROLIDINE DIONE DERIVATIVES WITH PESTICIDAL ACTIVITY SYNGENTA CROP PROTECTION LLC (US) 2012-09-27 US disclosed
US-20120245026-A1 SPIRO FUSED 1-AMINO - PIPERDINE PYRROLIDINE DIONE DERIVATIVES WITH PESTICIDAL ACTIVITY SYNGENTA CROP PROTECTION LLC (US) 2012-09-27 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-20120245026-A1 SPIRO FUSED 1-AMINO - PIPERDINE PYRROLIDINE DIONE DERIVATIVES WITH PESTICIDAL ACTIVITY DDT, CAT, AQP1 ALDH1A1 79/4885MAPT 4292/4885MAPK1 2518/4885

“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.