SCHEMBL7604739

SCHEMBL7604739

CN1CCN(C(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.49
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 2/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL4101994 0.87 MGLL (0.44) KDM4EALDH1A1RAB9ACYP2C19SMN1; SMN2
SCHEMBL3408455 0.86 EPHX2 (0.46) ALDH1A1MAPTNPC1HPGDSJAK2
SCHEMBL4109902 0.86 MAPT (0.44) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL3432977 0.85 CHRM3 (0.41) ALDH1A1MAPTHPGDSJAK2JAK1
SCHEMBL3415257 0.84 HPGDS (0.46) ALDH1A1MAPTRAB9ANPC1HPGDS
SCHEMBL3411790 0.84 NPC1 (0.42) ALDH1A1MAPTNPC1HPGDSJAK2
SCHEMBL3414984 0.84 AURKA (0.41) MAPTNPC1HPGDSJAK2JAK1
SCHEMBL4106006 0.83 HPGDS (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3411464 0.83 HPGDS (0.41) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL3403165 0.83 KMT2A (0.48) ALDH1A1MAPTRAB9ANPC1HPGDS

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A CTSS 3856/4885KDM4E 1399/4885ALDH1A1 1203/4885

“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.