SCHEMBL6413434

SCHEMBL6413434

O=C(NC1CC2CNC1C2)c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 3/20 0.47
GAA P10253 1/20 0.44
RORC P51449 1/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCKBR P32239 1/20 0.40
KIF11 P52732 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6412285 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6414648 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6099430 0.80 SSTR3 (0.44)
SCHEMBL6416998 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6099139 0.79 SSTR3 (0.38)
SCHEMBL6479210 0.77 SMYD3 (0.49) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6481458 0.75 CHRNA7 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6492732 0.74 CHRNA7 (0.50) MTNR1A
SCHEMBL6099086 0.74 SSTR3 (0.38)
SCHEMBL6100816 0.74 CYP2C9 (0.37) HSD17B10CYP2C9CYP2C19

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
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 KDM4E 3522/4885ALDH1A1 239/4885HPGD 656/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 KDM4E 2428/4885ALDH1A1 297/4885HPGD 1552/4885

“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.