SCHEMBL7006470

SCHEMBL7006470

Cc1c(C)n(CC2C[C@@H]2C)c2c(OCc3ccc(F)cc3F)nncc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
HTR6 P50406 1/20 0.40
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
SLC6A4 P31645 7/20 0.39
MAPK14 Q16539 6/20 0.34
ALKBH1 Q13686 1/20 0.32
MAOB P27338 1/20 0.32
MAPK11 Q15759 1/20 0.32
PREP P48147 1/20 0.32
PTGER1 P34995 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
SCHEMBL7002504 1.00 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6440142 1.00 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5234831 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5237849 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2688495 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5236744 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239207 0.85 CYP2C9 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7475245 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473324 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473326 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670360-B2 Antiulcer, antibacterial activity against Helicobacter pylori SANKYO COMPANY, LIMITED (JP) 2003-12-30 US claimed
EP-1186607-B1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS SANKYO CO (JP) 2003-05-21 EP claimed
US-20020156079-A1 Optically active pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2002-10-24 US claimed
EP-1186607-A1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS Sankyo Company, Limited (JP) 2002-03-13 EP claimed
US-6670360-B2 Antiulcer, antibacterial activity against Helicobacter pylori SANKYO COMPANY, LIMITED (JP) 2003-12-30 US disclosed
EP-1186607-B1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS SANKYO CO (JP) 2003-05-21 EP disclosed
US-20020156079-A1 Optically active pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2002-10-24 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-20020156079-A1 Optically active pyrrolopyridazine derivatives GIPR, HRH2, PGA5 CYP1A2 858/4885CYP3A4 1231/4885CYP2D6 1208/4885

“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.