SCHEMBL2536934

SCHEMBL2536934

CC(CN1CCNCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
SMYD3 Q9H7B4 1/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 3/20 0.39
APAF1 O14727 2/20 0.39
POLB P06746 1/20 0.39
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL1174390 0.85
SCHEMBL12229616 0.84 CHRM3 (0.49) ALDH1A1CHRM5CHRM3SMN1; SMN2SMYD3
SCHEMBL30066460 0.82 CHRM3 (0.47) ALDH1A1CHRM5CHRM3SMN1; SMN2SMYD3
SCHEMBL23886340 0.81 ALDH1A1 (0.66) ALDH1A1CHRM3SMN1; SMN2CYP1A2LMNA
SCHEMBL500486 0.81 ALDH1A1 (0.66) ALDH1A1CHRM5CHRM3SMN1; SMN2CYP1A2
SCHEMBL31557711 0.81 CHRM5 (0.44) ALDH1A1CHRM5CHRM3SMN1; SMN2LMNA
SCHEMBL23886205 0.81 ALDH1A1 (0.66) ALDH1A1CHRM3SMN1; SMN2CYP1A2LMNA
SCHEMBL23886134 0.81 ALDH1A1 (0.66) ALDH1A1CHRM3SMN1; SMN2CYP1A2LMNA
SCHEMBL27438939 0.81 CHRM5 (0.46) ALDH1A1CHRM5CHRM3SMN1; SMN2CYP1A2
SCHEMBL12251157 0.79 PADI1 (0.55) ALDH1A1CHRM5CHRM3SMN1; SMN2SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
EP-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 ALDH1A1 4061/4885CHRM5 4818/4885CHRM3 4835/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 ALDH1A1 2750/4885CHRM5 4808/4885CHRM3 4748/4885

“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.