SCHEMBL3020142

SCHEMBL3020142

CC1=CN2CCN1CC2C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.37
NOTUM Q6P988 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
ITGB1 P05556 2/20 0.31
ITGA5 P08648 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA4 P13612 1/20 0.31
AR P10275 2/20 0.30

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
SCHEMBL3023230 0.75
SCHEMBL3003396 0.65 AGTR2 (0.36) AGTR2NOTUMKDM4EHSD17B10ALDH1A1
SCHEMBL3016055 0.63 ATM (0.33) ALDH1A1ATM
SCHEMBL25896568 0.58
SCHEMBL7346021 0.58
SCHEMBL12765090 0.58
SCHEMBL22418322 0.56 ACE (0.35) NOTUM
SCHEMBL27617063 0.55 AGTR2 (0.36) AGTR2ATM
SCHEMBL11008405 0.55
SCHEMBL27641202 0.55 ACE (0.43) HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2010-08-12 US disclosed
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA AGTR2 4643/4885NOTUM 682/4885KDM4E 1204/4885

“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.