SCHEMBL6458105

SCHEMBL6458105

CN(C)CN(c1ncccn1)[C@H]1CC[C@@H](NC(=O)c2cccnc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.45
▸ CNR1 P21554 4/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD11B1 P28845 2/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CRHR1 P34998 2/20 0.40

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
SCHEMBL31583752 0.82 P2RX7 (0.58) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL6458122 0.78 RAB9A (0.41) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL6458112 0.78 RAB9A (0.41) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL3165964 0.76 ALDH1A1 (0.68) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL3108915 0.76 RAB9A (0.49) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL3108907 0.76 RAB9A (0.49) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL3115088 0.76 RAB9A (0.49) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL6063992 0.75 P2RX7 (0.54) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL4180056 0.75 POLB (0.50) CNR2CNR1RAB9AALDH1A1KDM4E
SCHEMBL13929047 0.75 POLB (0.50) CNR2CNR1RAB9AALDH1A1KDM4E

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 CNR2 52/4885CNR1 77/4885RAB9A 1648/4885

“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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