SCHEMBL6418513

SCHEMBL6418513

Cc1cn2cc(C(=O)NC3CC4CC3CN4)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.42
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
CHRM4 P08173 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
METTL3 Q86U44 1/20 0.35
NAMPT P43490 3/20 0.34
KHK P50053 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL6420882 0.87 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6419849 0.87 KDM4E (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6415275 0.85 NPC1 (0.40) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL6413615 0.84 HPGDS (0.38) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6414532 0.84 HPGDS (0.38) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6414394 0.82 NAMPT (0.50) NAMPT
SCHEMBL6415882 0.81 CHRNA7 (0.40) HPGDS
SCHEMBL6414029 0.80 MCHR1 (0.40) HPGDSMCHR1KDM4ENPC1ALDH1A1
SCHEMBL6416483 0.80 HPGDS (0.44) HPGDSMCHR1KDM4ENPC1ALDH1A1
SCHEMBL6411823 0.79 CHRNA7 (0.36) HPGDSKDM4EALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 (2 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY HPGDS 2142/4885MCHR1 2655/4885KDM4E 3522/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 HPGDS 3247/4885MCHR1 1632/4885KDM4E 2428/4885

“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.