SCHEMBL14643104

SCHEMBL14643104

COCc1cccc(C(O)CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
NQO2 P16083 1/20 0.39
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL611423 0.86 KDM4E (0.41) MTNR1AMTNR1BNQO2OPRK1
SCHEMBL613681 0.85 KDM4E (0.40) MTNR1AMTNR1BNQO2OPRK1
SCHEMBL3861226 0.85 MTNR1A (0.36) MTNR1AMTNR1BNQO2OPRK1OPRD1
SCHEMBL4569062 0.82 HIF1A (0.47) MTNR1AMTNR1BOPRK1OPRD1CNR1
SCHEMBL17735444 0.82 HIF1A (0.47) MTNR1AMTNR1BOPRK1OPRD1CNR1
SCHEMBL614318 0.82 MTNR1A (0.44) MTNR1AMTNR1BNQO2OPRK1OPRD1
SCHEMBL612756 0.81 CNR1 (0.41) MTNR1AMTNR1BCNR1CNR2
SCHEMBL4569064 0.81 CNR1 (0.41) MTNR1AMTNR1BCNR1CNR2
SCHEMBL613174 0.81 MTNR1A (0.41) MTNR1AMTNR1BNQO2CNR1CNR2
SCHEMBL611414 0.81 MTNR1A (0.37) MTNR1AMTNR1BNQO2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MTNR1A 383/4885MTNR1B 254/4885NQO2 3268/4885

“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.