SCHEMBL4696223

SCHEMBL4696223

CCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
ACSS2 Q9NR19 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSPO P30536 1/20 0.39

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
SCHEMBL6047805 0.98 MTNR1A (0.41) MTNR1AMTNR1BKDM4ENPC1ALDH1A1
SCHEMBL6047769 0.96 KDM4E (0.43) MTNR1AMTNR1BKDM4ENPC1ALDH1A1
SCHEMBL6047815 0.94 MTNR1A (0.43) MTNR1AMTNR1BLMNAACSS2TSPO
SCHEMBL6047806 0.92 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1LMNARAB9A
SCHEMBL4780614 0.90 TSPO (0.44) MTNR1AMTNR1BACSS2TSPO
SCHEMBL6047784 0.89 MTNR1A (0.40) MTNR1AMTNR1BLMNAACSS2TSPO
SCHEMBL6047764 0.88 ALDH1A1 (0.45) KDM4ENPC1ALDH1A1LMNARAB9A
SCHEMBL6047848 0.87 MC4R (0.47) MTNR1AMTNR1B
SCHEMBL6047793 0.86 TSPO (0.41) MTNR1AMTNR1BACSS2TSPO
SCHEMBL6047812 0.86 TSPO (0.43) MTNR1AMTNR1BACSS2TSPO

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 8 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
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US disclosed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO 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 MTNR1A 799/4885MTNR1B 531/4885KDM4E 2009/4885

“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.