SCHEMBL7067977

SCHEMBL7067977

Cc1cc(N2CCCC2)n2nc(-c3ccc(C(=O)O)cc3)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.57
ABCG2 Q9UNQ0 3/20 0.54
KDM4E B2RXH2 9/20 0.53
HPGD P15428 8/20 0.53
HSD17B10 Q99714 6/20 0.53
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 3/20 0.53
TP53 P04637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 2/20 0.45

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
SCHEMBL7066057 0.87 KDM4E (0.53) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7065589 0.85 KDM4E (0.63) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7061181 0.83 NPC1 (0.64) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7067639 0.82 KDM4E (0.63) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7066163 0.82 ABCB1 (0.58) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7061177 0.82 KDM4E (0.52) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7066787 0.81 NPC1 (0.63) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7065606 0.81 ABCB1 (0.61) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL7066706 0.77 KDM4E (0.50) ABCB1ABCG2KDM4EHPGDHSD17B10
SCHEMBL18198095 0.77 ABCB1 (0.49) ABCB1ABCG2KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649759-B2 Pyrazolo(1,5-a)pyrimidine derivatives; treating feeding, cardiovascular and psychological disorders PFIZER INC. 2003-11-18 US disclosed
US-20030100546-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2003-05-29 US disclosed
US-20020061897-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2002-05-23 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-20030100546-A1 Neuropeptide Y antagonists NPY1R, NPY2R, GIPR ABCB1 3119/4885ABCG2 4466/4885KDM4E 3423/4885
US-20020061897-A1 Neuropeptide Y antagonists NPY1R, NPY2R, GIPR ABCB1 3119/4885ABCG2 4466/4885KDM4E 3423/4885

“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.