SCHEMBL3071892

SCHEMBL3071892

COCCCn1nc(C(=O)OC)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.53
PLAU P00749 3/20 0.53
F2 P00734 2/20 0.53
CNR1 P21554 7/20 0.50
CNR2 P34972 5/20 0.50
HTR4 Q13639 5/20 0.46
CYP3A4 P08684 1/20 0.46
HTR3A P46098 2/20 0.46
KDM4C Q9H3R0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL31429292 0.92 ELANE (0.56) ELANEPLAUF2CNR1CNR2
SCHEMBL2808445 0.90 ELANE (0.49) ELANEPLAUF2CNR1CNR2
SCHEMBL19675103 0.90 CNR1 (0.47) ELANEPLAUF2CNR1CNR2
SCHEMBL3065175 0.89 ELANE (0.50) ELANEPLAUF2CNR1CNR2
SCHEMBL15882396 0.89 ELANE (0.58) ELANEPLAUF2CNR1CNR2
SCHEMBL15882017 0.88 CNR1 (0.50) CNR1CNR2CYP3A4KDM4CKDM4E
SCHEMBL17324730 0.88 CNR1 (0.48) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL17287279 0.87 CNR1 (0.60) ELANEPLAUF2CNR1CNR2
SCHEMBL20250798 0.86 CNR1 (0.49) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL31429235 0.85 ELANE (0.57) ELANEPLAUF2CNR1CNR2

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 ELANE 557/4885PLAU 886/4885F2 1427/4885

“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.