SCHEMBL11929005

SCHEMBL11929005

Cn1c(=O)n(C2CCN(CCCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
CYP2D6 P10635 4/20 0.57
OPRM1 P35372 4/20 0.57
CACNA1G O43497 3/20 0.57
CACNA1H O95180 3/20 0.57
SLC6A2 P23975 3/20 0.57
DRD2 P14416 2/20 0.57
SLC6A4 P31645 2/20 0.57
CYP3A4 P08684 2/20 0.57
OPRK1 P41145 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
SLC22A2 O15244 1/20 0.57
MLNR O43193 1/20 0.57
CACNA1F O60840 1/20 0.57
GMNN O75496 1/20 0.57
USP2 O75604 1/20 0.57
USP1 O94782 1/20 0.57
KCNK2 O95069 1/20 0.57
ABCB11 O95342 1/20 0.57

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
SCHEMBL11929305 0.92 HTR2A (0.68) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL10281721 0.87 SIGMAR1 (0.55) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL24708799 0.82 CACNA1G (0.84) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL31000433 0.82 CACNA1G (0.84) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL11925195 0.81 SLC6A2 (0.65) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL10281563 0.81 OPRM1 (0.65) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H
SCHEMBL14186021 0.79 DRD2 (0.57) CYP2D6OPRM1CACNA1GCACNA1HDRD2
SCHEMBL11841717 0.79 DRD2 (0.64) CYP2D6OPRM1CACNA1GCACNA1HSLC6A2
SCHEMBL20369282 0.79 DRD2 (0.57) CYP2D6CACNA1GCACNA1HSLC6A2DRD2
SCHEMBL20368998 0.78 SLC6A2 (0.62) SIGMAR1CYP2D6OPRM1CACNA1GCACNA1H

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-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 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 (3 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 SIGMAR1 140/4885CYP2D6 119/4885OPRM1 288/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 SIGMAR1 140/4885CYP2D6 119/4885OPRM1 288/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 SIGMAR1 140/4885CYP2D6 119/4885OPRM1 288/4885

“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.