SCHEMBL14948890

SCHEMBL14948890

CC(C)(C)NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
ABCC4 O15439 2/20 0.60
ABCB11 O95342 2/20 0.60
ABCB1 P08183 2/20 0.60
TACR2 P21452 2/20 0.60
TBXAS1 P24557 2/20 0.60
OPRM1 P35372 2/20 0.60
OPRD1 P41143 2/20 0.60
OPRK1 P41145 2/20 0.60
SLC6A3 Q01959 2/20 0.60
KCNH2 Q12809 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
ABCC3 O15438 1/20 0.60
CACNA1F O60840 1/20 0.60
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
AVPR1A P37288 1/20 0.60
HTR2B P41595 1/20 0.60
CACNA1D Q01668 1/20 0.60

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
SCHEMBL7292550 0.91 CYP3A4 (0.60) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL13915942 0.88 CYP3A4 (0.62) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL14350821 0.88 CYP3A4 (0.62) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL14350789 0.88 CYP3A4 (0.62) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL13908023 0.87 CYP3A4 (0.61) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL5411938 0.87 CYP3A4 (0.64) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL13907845 0.87 CYP3A4 (0.62) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL7432585 0.86 CYP3A4 (0.55) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL496314 0.86 KLK5 (0.63) CYP3A4ABCC4ABCB11ABCB1TACR2
SCHEMBL13915941 0.85 CYP3A4 (0.59) CYP3A4ABCC4ABCB11ABCB1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096576-B2 Compounds and methods for treatment of systemic lupus erythematosus THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-04 US disclosed
US-20140309255-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-10-16 US disclosed
US-8741924-B2 Compounds and methods for treatment of systemic lupus erythematosus THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-06-03 US disclosed
US-20130123299-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-16 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-20130123299-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS SSB, DNASE1L3, SNRPD2 CYP3A4 4524/4885ABCC4 3590/4885ABCB11 4325/4885
US-20140309255-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS SSB, DNASE1L3, SNRPD2 CYP3A4 4524/4885ABCC4 3590/4885ABCB11 4325/4885

“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.