SCHEMBL4174124

SCHEMBL4174124

CC(C)C(C(=O)NC(CN)Cc1ccccc1)N1CCCNC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
ABCB1 P08183 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
TBXA2R P21731 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
HTR2B P41595 1/20 0.60
KCNH2 Q12809 1/20 0.60
SCN5A Q14524 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
MAPK1 P28482 1/20 0.41
FPR2 P25090 1/20 0.38
LMNA P02545 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38

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
SCHEMBL13907805 0.89 CYP3A4 (0.59) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL13915801 0.89 CYP3A4 (0.59) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL4175252 0.85 ABCC3 (0.55) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL13915883 0.84 ABCC3 (0.54) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL9943725 0.84 CYP3A4 (0.77) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL4245489 0.84 CYP3A4 (0.77) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL9943595 0.84 CYP3A4 (0.77) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL13907784 0.83 ABCC3 (0.53) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL9943748 0.83 CYP3A4 (0.64) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL9943746 0.83 CYP3A4 (0.64) CYP3A4ABCC3ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
US-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
US-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
EP-1700122-A4 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS INC (US) 2008-05-21 EP disclosed
EP-1700122-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2006-09-13 EP disclosed
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics ARK DIAGNOSTICS, INC. (US) 2005-11-03 US disclosed
WO-2005062979-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2005-07-14 WO 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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS CD4, MPI, ME1 CYP3A4 70/4885ABCC3 1265/4885ABCC4 1132/4885
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics CD4, MPI, ME1 CYP3A4 70/4885ABCC3 1265/4885ABCC4 1132/4885

“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.