SCHEMBL6835593

SCHEMBL6835593

CC(C)n1nc(-c2nc3c([nH]2)-c2ccccc2CCC3)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.34
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TYMS P04818 3/20 0.34
DRD4 P21917 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 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
SCHEMBL6835207 0.77 CYP2A6 (0.35) CYP2A6MAOAMAOBTYMSDRD4
SCHEMBL6835188 0.72 NPY5R (0.61) NPY5RCYP2A6MAOAMAOBCCNB2
SCHEMBL6837109 0.71 NPY5R (0.64) NPY5RKDM4EALDH1A1HPGD
SCHEMBL6836970 0.69 NPY5R (0.64) NPY5RKDM4EALDH1A1CDK1
SCHEMBL6831691 0.66 NPY5R (0.66) NPY5RKDM4EALDH1A1HPGD
SCHEMBL6538758 0.64 PDE10A (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6538958 0.64 HCAR1 (0.32) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL6567123 0.63 NPY5R (0.41) NPY5RTGFBR1KDM4EALDH1A1HPGD
SCHEMBL6538769 0.62 PDE1A (0.39) KDM4EALDH1A1
SCHEMBL6539443 0.62 CRBN (0.34) HRH3BMPR1BBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 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 (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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885CYP2A6 713/4885MAOA 482/4885

“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.