SCHEMBL5795346

SCHEMBL5795346

COc1ccc(Cn2nnc(C(=O)N3CCNCC3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 3/20 0.47
CYP2C9 P11712 1/20 0.46
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
UGCG Q16739 1/20 0.42
LSS P48449 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL8835060 0.94 CYP2C9 (0.47) KDM1AALOX15L3MBTL1DRD2DRD4
SCHEMBL6071728 0.86 CYP19A1 (0.48) DRD2DRD4HTR2ADRD3RXFP1
SCHEMBL6071882 0.82 CYP19A1 (0.45) DRD2DRD4HTR2ADRD3RXFP1
SCHEMBL17351879 0.80 ALOX15 (0.56) ALOX15L3MBTL1DRD2DRD4HTR2A
SCHEMBL4226447 0.79 CYP19A1 (0.56) ALOX15L3MBTL1DRD2DRD4HTR2A
SCHEMBL1412435 0.78 ALOX15 (0.58) ALOX15L3MBTL1DRD2DRD4HTR2A
Trifluoroacetic Acid SCHEMBL8834496 0.78 CYP2C9 (0.41) L3MBTL1DRD2DRD4HTR2ADRD3
SCHEMBL5795235 0.72 KCNJ1 (0.53) POLBKMT2AMAPTALDH1A1
SCHEMBL23319914 0.72 HTR3E (0.48) KDM1AALOX15L3MBTL1POLBRXFP1
SCHEMBL22816529 0.72 CYP19A1 (0.44) ALOX15L3MBTL1POLBRXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US claimed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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 (1 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 KDM1A 1400/4885ALOX15 1543/4885L3MBTL1 3797/4885

“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.