SCHEMBL2736108

SCHEMBL2736108

COC(=O)NC(C)CCC(C)NC(=O)C(C)NC(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
ACACB O00763 7/20 0.34
ALDH1A1 P00352 1/20 0.33
ACACA Q13085 1/20 0.33
CAPN1 P07384 1/20 0.30

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
SCHEMBL13780652 0.76 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL13624580 0.75 ACACB (0.39) CHRNB2CHRNB4CHRNA4ACACBALDH1A1
SCHEMBL15107752 0.73 TAS1R3 (0.44) ACACBALDH1A1ACACA
SCHEMBL18901851 0.70 ACACB (0.38) ACACBACACA
SCHEMBL11982683 0.69 ALDH1A1 (0.44) ACACBALDH1A1ACACA
SCHEMBL15961884 0.69 ALDH1A1 (0.44) ACACBALDH1A1ACACA
SCHEMBL15961662 0.66 TAS1R3 (0.47)
SCHEMBL15107751 0.66 TSHR (0.48) ACACBALDH1A1ACACA
SCHEMBL6427745 0.65 CTSL (0.34) ALDH1A1
SCHEMBL7257888 0.64 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9575080-B2 2017-02-21 US disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 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 (4 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO CHRNB2 4453/4885CHRNB4 4313/4885CHRNA4 4309/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CHRNB2 3124/4885CHRNB4 2573/4885CHRNA4 3196/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CHRNB2 3164/4885CHRNB4 2529/4885CHRNA4 3183/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CHRNB2 3164/4885CHRNB4 2529/4885CHRNA4 3183/4885

“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.