SCHEMBL4151517

SCHEMBL4151517

Oc1ccc(CN2CCCCC2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
POLB P06746 1/20 0.72
HRH3 Q9Y5N1 3/20 0.62
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HRH4 Q9H3N8 1/20 0.56
HTT P42858 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL28184444 0.85 HRH3 (0.61) SMN1; SMN2POLBHRH3SIGMAR1TSHR
SCHEMBL13293705 0.84 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL24023501 0.84 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL24023500 0.84 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL30596563 0.84 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL6795896 0.82 POLB (0.96) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL7379184 0.82 HRH3 (0.59) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL6568587 0.80 POLB (0.62) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL1005987 0.80 FAAH (0.54) SMN1; SMN2POLBHRH3SIGMAR1TSHR
SCHEMBL31010162 0.79 ALDH1A1 (0.72) SMN1; SMN2POLBHRH3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
CN-102119163-A Diazacarbazoles and methods of use GENENTECH INC 2011-07-06 CN disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed
EP-1746092-A1 Compounds and methods for treatment of amyloid-B-peptide related disorders Exonhit Therapeutics SA (FR) 2007-01-24 EP disclosed
EP-1746092-A1 Compounds and methods for treatment of amyloid-B-peptide related disorders Exonhit Therapeutics SA (FR) 2007-01-24 EP 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-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders APP, BACE1, IAPP SMN1; SMN2 1581/4885POLB 4268/4885HRH3 1139/4885
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 SMN1; SMN2 3819/4885POLB 4770/4885HRH3 250/4885

“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.