SCHEMBL4696808

SCHEMBL4696808

COc1ccc2nc(C(=O)c3ccccc3)n(CCC(C)(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACSS2 Q9NR19 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
MC1R Q01726 1/20 0.45
PDE10A Q9Y233 1/20 0.44
PPARG P37231 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL4696828 0.85 MTNR1A (0.48) POLBLMNAALDH1A1ACSS2MTNR1A
SCHEMBL4693967 0.84 POLB (0.52) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL6047758 0.84 POLB (0.57) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL6047767 0.80 POLB (0.57) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL6047800 0.79 POLB (0.49) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL6047887 0.77 POLB (0.53) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL4696644 0.76 ALDH1A1 (0.53) POLBLMNAALDH1A1SMN1; SMN2ACSS2
SCHEMBL6047817 0.75 POLB (0.52) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL10073871 0.75 ELANE (0.43) LMNAALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL4305072 0.74 GRM2 (0.44) ACSS2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP claimed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 POLB 3975/4885LMNA 888/4885ALDH1A1 2026/4885

“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.