SCHEMBL2974013

SCHEMBL2974013

CCN(C[C@@H](C)NC(=O)OCc1cncs1)C[C@@H](C)NC(=O)OCc1cncs1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.80
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL2984056 1.00 CYP3A4 (0.80) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2984777 1.00 CYP3A4 (0.80) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL272416 0.99 CYP3A4 (0.79) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL272782 0.99 CYP3A4 (0.79) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL272743 0.99 CYP3A4 (0.79) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2984773 0.87 CYP3A4 (0.64) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL272742 0.86 CYP3A4 (0.63) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL2979631 0.86 CYP3A4 (0.63) CYP3A4NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL272339 0.86 CYP3A4 (0.82) CYP3A4
SCHEMBL272340 0.86 CYP3A4 (0.82) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US claimed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP claimed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO claimed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US claimed
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP disclosed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885NPC1 294/4885RAB9A 1904/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885NPC1 294/4885RAB9A 1904/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885NPC1 294/4885RAB9A 1904/4885

“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.