SCHEMBL6467378

SCHEMBL6467378

O=C(N[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)CC1)c1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
PDE10A Q9Y233 4/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE4B Q07343 4/20 0.43
PDE4D Q08499 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 1/20 0.41
P2RX7 Q99572 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
SCHEMBL6467380 1.00 RAB9A (0.46) RAB9ANPC1HCRTR1HCRTR2PDE10A
Hydrochloric Acid SCHEMBL6459879 0.99 RAB9A (0.46) RAB9ANPC1HCRTR1HCRTR2PDE10A
Hydrochloric Acid SCHEMBL6459870 0.99 RAB9A (0.46) RAB9ANPC1HCRTR1HCRTR2PDE10A
SCHEMBL6464551 0.83 PDE10A (0.49) RAB9ANPC1PDE10APDE4BPDE4D
SCHEMBL6464545 0.83 PDE10A (0.49) RAB9ANPC1PDE10APDE4BPDE4D
Hydrochloric Acid SCHEMBL6455787 0.83 PDE10A (0.49) RAB9ANPC1PDE10APDE4BPDE4D
Hydrochloric Acid SCHEMBL6455790 0.83 PDE10A (0.49) RAB9ANPC1PDE10APDE4BPDE4D
SCHEMBL6459182 0.83 PDE10A (0.50) PDE10AKMT2AALDH1A1
SCHEMBL6459172 0.83 PDE10A (0.50) PDE10AKMT2AALDH1A1
SCHEMBL31583752 0.82 P2RX7 (0.58) RAB9ANPC1KMT2AMEN1CYP1A2

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 RAB9A 1648/4885NPC1 778/4885HCRTR1 7/4885

“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.