SCHEMBL15960993

SCHEMBL15960993

CCCCC1COc2cnc3ccc(OC)cc3c2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
CYP1A2 P05177 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 11/20 0.39
BCHE P06276 8/20 0.39
KCNH2 Q12809 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.36
CLK1 P49759 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17928601 0.89 MTNR1A (0.47) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL14250228 0.85 MTNR1A (0.46) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL14314428 0.84 MTNR1A (0.45) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL15960991 0.82 CYP1A2 (0.46) CYP1A2KDM4ECYP3A4CYP2C19HSD17B10
SCHEMBL12630208 0.80 ALDH1A1 (0.43) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL15305097 0.80 ALDH1A1 (0.43) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL15954932 0.80 MTNR1A (0.42) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL12692905 0.80 MTNR1A (0.36) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL12692897 0.80 PDE5A (0.39) MTNR1ACYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL15960987 0.79 ACHE (0.41) CYP1A2KDM4ECYP3A4CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321788-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2016-04-26 US disclosed
US-20140235855-A1 Tricyclic Antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-08-21 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-20140235855-A1 Tricyclic Antibiotics CBR1, CYP2S1, C1S MTNR1A 276/4885CYP1A2 15/4885KDM4E 4454/4885

“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.