SCHEMBL6413447

SCHEMBL6413447

C#Cc1cn2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.40
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTK P33981 1/20 0.32

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
SCHEMBL7029824 1.00 HPGDS (0.40) HPGDSSLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL7032691 0.90 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6418049 0.90 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6417962 0.86 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL6413940 0.84 HPGDS (0.42) HPGDSSLC6A4SLC6A3KDM4ENPC1
SCHEMBL6418639 0.84 HPGDS (0.42) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6416483 0.84 HPGDS (0.44) HPGDSSLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL6411726 0.82 HPGDS (0.34) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6413615 0.82 HPGDS (0.38) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6411893 0.80 NAMPT (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
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
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 2142/4885SLC6A4 3294/4885SLC6A2 3428/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 HPGDS 3247/4885SLC6A4 2118/4885SLC6A2 1831/4885

“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.