SCHEMBL10074638

SCHEMBL10074638

COc1ccc2c(C(=O)c3ccccc3)nn(CC3CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
CNR1 P21554 3/20 0.47
KDM4E B2RXH2 1/20 0.43
ELANE P08246 3/20 0.43
PTGIR P43119 1/20 0.41
KDM2B Q8NHM5 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL10073859 0.96 CNR2 (0.50) CNR2CNR1KDM4EELANEKDM2B
SCHEMBL10074425 0.95 CNR2 (0.54) CNR2CNR1KDM4EELANEKDM2B
SCHEMBL13844050 0.84 LMNA (0.46) ELANELMNAALDH1A1CYP1A2PGR
SCHEMBL13844051 0.83 ELANE (0.45) ELANELMNAALDH1A1CYP1A2PGR
SCHEMBL13793977 0.83 ELANE (0.47) CNR2CNR1ELANELMNAALDH1A1
SCHEMBL10074207 0.82 ELANE (0.44) ELANELMNAALDH1A1CYP1A2PGR
SCHEMBL13844052 0.82 LMNA (0.48) KDM4EELANELMNAALDH1A1CYP1A2
SCHEMBL10073875 0.82 ELANE (0.44) ELANELMNAALDH1A1CYP1A2PGR
SCHEMBL10074210 0.81 ALDH1A1 (0.43) ELANELMNAALDH1A1CYP1A2PGR
SCHEMBL10073871 0.80 ELANE (0.43) CNR2CNR1ELANELMNAALDH1A1

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
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 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-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 CNR2 744/4885CNR1 725/4885KDM4E 1362/4885

“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.