SCHEMBL10074205

SCHEMBL10074205

CCCCCCn1nc(C(=O)c2ccccc2)c2ccc(OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.52
CNR1 P21554 3/20 0.51
PSEN1 P49768 6/20 0.45
PSEN2 P49810 6/20 0.45
APH1B Q8WW43 6/20 0.45
NCSTN Q92542 6/20 0.45
APH1A Q96BI3 6/20 0.45
PSENEN Q9NZ42 6/20 0.45
ELANE P08246 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMPD1 P17405 1/20 0.44

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
SCHEMBL13793977 0.91 ELANE (0.47) CNR2CNR1ELANEALDH1A1CYP1A2
SCHEMBL13848558 0.84 ELANE (0.43) CNR2CNR1ELANEALDH1A1CYP1A2
SCHEMBL10074636 0.84 ELANE (0.43) CNR2ELANEALDH1A1CYP1A2CYP2D6
SCHEMBL10073871 0.84 ELANE (0.43) CNR2CNR1ELANEALDH1A1CYP1A2
SCHEMBL13844050 0.83 LMNA (0.46) ELANEALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2210417 0.83 CNR2 (0.46) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL13844051 0.82 ELANE (0.45) ELANEALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL13794675 0.82 ELANE (0.45) CNR2CNR1ELANEALDH1A1CYP1A2
SCHEMBL13844059 0.81 MAPT (0.42) CNR2CNR1ELANEALDH1A1CYP1A2
SCHEMBL13844052 0.81 LMNA (0.48) ELANEALDH1A1CYP1A2CYP2D6CYP2C19

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 725/4885PSEN1 188/4885

“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.