SCHEMBL11935931

SCHEMBL11935931

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PPID Q08752 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL11936111 0.83 LMNA (0.58) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL17090463 0.82 LMNA (0.41) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL11935982 0.82 ALDH1A1 (0.48) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL17090059 0.81 LMNA (0.40) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL11936138 0.78 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL11935967 0.77 ALOX5 (0.46) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL14275080 0.76 TAS1R3 (0.60) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL12688285 0.75 TAS1R3 (0.53) ALDH1A1TAS1R3TAS1R1ALOX5BRD4
SCHEMBL11935795 0.73 TAS1R3 (0.41) TAS1R3TAS1R1BRD4CREBBPHDAC1
SCHEMBL11936029 0.73 PPID (0.45) LMNAALDH1A1CYP1A2ALOX15CYP2C19

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 LMNA 3149/4885ALDH1A1 3842/4885CYP1A2 1578/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R LMNA 3184/4885ALDH1A1 3361/4885CYP1A2 1378/4885

“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.