SCHEMBL6458112

SCHEMBL6458112

CN(C)c1ccnc(N(C)C2CCC(NC(=O)c3cccnc3Cl)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 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
SCHEMBL6458122 1.00 RAB9A (0.41) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL31583752 0.80 P2RX7 (0.58) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL6458105 0.78 CNR2 (0.45) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL27632411 0.76 MCHR1 (0.67) CNR1MCHR1ADRA2AADRA1AHRH1
SCHEMBL6464497 0.76 MCHR1 (0.67) CNR1MCHR1ADRA2AADRA1AHRH1
SCHEMBL3165964 0.73 ALDH1A1 (0.68) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3115088 0.73 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3108907 0.73 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3108915 0.73 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL6063992 0.73 P2RX7 (0.54) RAB9ACNR2CNR1ALDH1A1KDM4E

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 1648/4885CNR2 52/4885CNR1 77/4885

“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.

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