SCHEMBL16245396

SCHEMBL16245396

COc1ncc2ccc(OCCCN3CCOCC3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SCN3A Q9NY46 1/20 0.54
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FGFR1 P11362 2/20 0.51
SRC P12931 2/20 0.51

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
SCHEMBL2502393 0.91 ALDH1A1 (0.54) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL25345607 0.90 EHMT2 (0.51) HRH3ALDH1A1KCNH2KDM4E
SCHEMBL4554146 0.88 HRH3 (0.52) HRH3ALDH1A1KDM4E
SCHEMBL3067381 0.80 HRH3 (0.54) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL30979868 0.80 HRH3 (0.54) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL31061228 0.79 ALDH1A1 (0.51) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL3351728 0.79 ALDH1A1 (0.51) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL11274158 0.76 ALDH1A1 (0.62) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL6652253 0.76 DRD3 (0.58) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL29832175 0.76 NCF1 (0.44) CYP1A2CYP2D6

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
CN-104903450-A Dosing and administration of oligonucleotide cancer therapies PRONAI THERAPEUTICS INC 2015-09-09 CN disclosed
CN-104884637-A Methods of using biomarkers for the treatment of cancer by modulation of BCL2 expression PRONAI THERAPEUTICS INC 2015-09-02 CN disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 HRH3 586/4885ALDH1A1 730/4885MAPK1 3664/4885

“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.