SCHEMBL6097646

SCHEMBL6097646

CCc1ccc(NC(=O)c2cc(N3CCC(C)CC3)nc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HIF1A Q16665 3/20 0.61
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 3/20 0.56
ALDH1A1 P00352 5/20 0.54
RCE1 Q9Y256 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GBA1 P04062 1/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL6097470 0.90 KDM4E (0.65) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
Ethane SCHEMBL6097651 0.90 KDM4E (0.71) KDM4EHIF1AMAPTSMN1; SMN2TP53
SCHEMBL6097763 0.89 KDM4E (0.64) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6099924 0.89 KDM4E (0.64) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6100437 0.89 KDM4E (0.56) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6102421 0.88 KDM4E (0.64) KDM4EHIF1AMAPTSMN1; SMN2TP53
SCHEMBL6099871 0.87 KDM4E (0.80) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6098606 0.87 KDM4E (0.62) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6099685 0.85 KDM4E (0.59) KDM4EHIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6101980 0.85 KDM4E (0.55) KDM4EHIF1AMAPTSMN1; SMN2TP53

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-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US claimed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 WO claimed
US-7041664-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2006-05-09 US disclosed
US-6894044-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2005-05-17 US disclosed
US-6369053-B1 CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES; ALSO USEFUL AS PROBES FOR THE LOCALIZATION OF CELL SURFACE RECEPTORS; NONPEPTIDE NK-3 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION 2002-04-09 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 (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-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands KCNQ3, OPRK1, KCNQ1 KDM4E 2712/4885HIF1A 3061/4885MAPT 898/4885

“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.