SCHEMBL11936029

SCHEMBL11936029

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPIG Q13427 1/20 0.42
ALOX5 P09917 1/20 0.40
ITGB1 P05556 4/20 0.40
ITGA5 P08648 4/20 0.40
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
EPHX2 P34913 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL11936022 0.82 ALOX5 (0.46) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL17090485 0.80 PPARA (0.41) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11935982 0.80 ALDH1A1 (0.48) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL17090458 0.78 GHSR (0.40) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11935961 0.75 ADRA1D (0.45) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL11936111 0.75 LMNA (0.58) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11935967 0.74 ALOX5 (0.46) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL11936138 0.73 ALDH1A1 (0.49) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL11935931 0.73 LMNA (0.46) PPIDALDH1A1LMNACYP1A2ALOX15
SCHEMBL19224096 0.70 TAS1R3 (0.44) ALDH1A1ALOX5MEN1KMT2A

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 PPID 3786/4885ALDH1A1 3842/4885LMNA 3149/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PPID 4114/4885ALDH1A1 3361/4885LMNA 3184/4885

“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.