SCHEMBL7005199

SCHEMBL7005199

Cc1c(C)n(CC2C[C@@H]2C)c2c(OCc3ccc(Cl)cc3)nncc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
HTR6 P50406 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
CYP17A1 P05093 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7003503 1.00 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6437589 1.00 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5237849 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5236744 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29405145 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2688495 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7472617 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4591606 0.80 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7002504 0.79 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4591003 0.79 CYP1A2 (0.79) 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 6 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
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.