SCHEMBL6462658

SCHEMBL6462658

NCC1CCC(Nc2ccc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
PDE10A Q9Y233 4/20 0.45
NCF1 P14598 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
USP30 Q70CQ3 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CCNT1 O60563 2/20 0.40
CXCR3 P49682 1/20 0.40
KMT2A Q03164 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6462651 1.00 MCHR1 (0.46) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL31620776 0.87 NCF1 (0.57) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL5943499 0.83 NCF1 (0.49) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL6456504 0.83 NCF1 (0.49) MCHR1DDB1CRBNPDE10ANCF1
Hydrochloric Acid SCHEMBL6463442 0.82 NCF1 (0.47) MCHR1DDB1CRBNPDE10ANCF1
Hydrochloric Acid SCHEMBL6924108 0.82 NCF1 (0.47) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL28191867 0.82 NCF1 (0.45) MCHR1DDB1CRBNPDE10ANCF1
Hydrochloric Acid SCHEMBL6926824 0.81 NPC1 (0.46) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL24092000 0.81 MCHR1 (0.57) MCHR1DDB1CRBNPDE10ANCF1
SCHEMBL29911218 0.81 MCHR1 (0.57) MCHR1DDB1CRBNPDE10ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885DDB1 1370/4885CRBN 4481/4885

“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.