SCHEMBL11929003

SCHEMBL11929003

CCN(CC)CCC1(c2ccccc2)CCC(OC)=NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
PRCP P42785 2/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 7/20 0.38
CHRM1 P11229 6/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC22A1 O15245 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.35
CHRM4 P08173 1/20 0.33

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
SCHEMBL20369274 0.89 SIGMAR1 (0.39) SIGMAR1PRCPALDH1A1POLBCHRM2
SCHEMBL11925177 0.87 SIGMAR1 (0.38) SIGMAR1PRCPALDH1A1POLBCHRM2
SCHEMBL17471584 0.81 SIGMAR1 (0.39) SIGMAR1PRCPALDH1A1POLBCHRM2
SCHEMBL11925176 0.74 SIGMAR1 (0.37) SIGMAR1PRCPALDH1A1POLBCHRM2
Phenglutarimide SCHEMBL250700 0.74 CYP19A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6
Phenglutarimide SCHEMBL1649930 0.72 CYP19A1 (0.56) ALDH1A1CYP1A2CYP2D6
SCHEMBL17471628 0.72 CYP19A1 (0.53) SIGMAR1PRCPALDH1A1POLBDRD2
Hydrochloric Acid SCHEMBL10920499 0.71 SIGMAR1 (0.43) SIGMAR1PRCPALDH1A1POLBCHRM2
SCHEMBL10281579 0.69 CXCR3 (0.41) SIGMAR1PRCPALDH1A1POLBCHRM2
SCHEMBL11641970 0.65 KDM4E (0.39) ALDH1A1POLBKDM4E

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 140/4885PRCP 1385/4885ALDH1A1 525/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 SIGMAR1 140/4885PRCP 1385/4885ALDH1A1 525/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 SIGMAR1 140/4885PRCP 1385/4885ALDH1A1 525/4885

“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.