SCHEMBL4697852

SCHEMBL4697852

CCCCN(CC)C(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSPO P30536 5/20 0.45
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44
ACSS2 Q9NR19 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL6047817 0.96 POLB (0.52) LMNAPOLBALDH1A1RECQLSMN1; SMN2
SCHEMBL6047887 0.90 POLB (0.53) LMNAPOLBALDH1A1RECQLSMN1; SMN2
SCHEMBL6047808 0.86 KDM4E (0.43) LMNAALDH1A1TSPOMC4RMC5R
SCHEMBL6047769 0.86 KDM4E (0.43) LMNAALDH1A1TSPOACSS2KDM4E
SCHEMBL4701172 0.84 MC4R (0.56) LMNAPOLBALDH1A1RECQLSMN1; SMN2
SCHEMBL6047800 0.83 POLB (0.49) LMNAPOLBALDH1A1RECQLSMN1; SMN2
SCHEMBL4696223 0.82 MTNR1A (0.43) LMNAALDH1A1SMN1; SMN2TSPOACSS2
SCHEMBL6047776 0.82 MTNR1A (0.43) LMNAPOLBALDH1A1SMN1; SMN2TSPO
SCHEMBL6047804 0.81 POLB (0.43) LMNAPOLBALDH1A1TSPOMC4R
SCHEMBL6047805 0.80 MTNR1A (0.41) LMNAALDH1A1SMN1; SMN2TSPOACSS2

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 LMNA 888/4885POLB 3975/4885ALDH1A1 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.