SCHEMBL11935967

SCHEMBL11935967

Cc1cc(NCc2ccc(N)cc2)c(C)c(C(=O)NC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MITF O75030 1/20 0.41
PPID Q08752 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.38
PLK1 P53350 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA5 P08648 2/20 0.37
HDAC8 Q9BY41 4/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPIG Q13427 1/20 0.36

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
SCHEMBL11935961 0.84 ADRA1D (0.45) ALOX5MITFPPIDALDH1A1LMNA
SCHEMBL17090505 0.82 NR3C1 (0.39) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11936022 0.81 ALOX5 (0.46) ALOX5MITFPPIDALDH1A1LMNA
SCHEMBL17090464 0.80 LMNA (0.35) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11935931 0.77 LMNA (0.46) ALOX5PPIDALDH1A1LMNACYP1A2
SCHEMBL11936138 0.77 ALDH1A1 (0.49) ALOX5MITFPPIDALDH1A1LMNA
SCHEMBL11936029 0.74 PPID (0.45) ALOX5MITFPPIDALDH1A1LMNA
SCHEMBL11935696 0.74 ROCK1 (0.41) ALOX5ALDH1A1PLK1KDM4EMEN1
SCHEMBL11935982 0.73 ALDH1A1 (0.48) ALOX5MITFPPIDALDH1A1LMNA
SCHEMBL13439240 0.71 PTGER4 (0.43) ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R ALOX5 372/4885MITF 711/4885PPID 3786/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALOX5 301/4885MITF 829/4885PPID 4114/4885

“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.