SCHEMBL4698311

SCHEMBL4698311

COc1ccc2ncn(CCC(C)(C)C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPK10 P53779 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
QPCT Q16769 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GRM2 Q14416 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL4696560 0.89 MAPT (0.49) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL19911346 0.84 MTNR1A (0.64) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL19611398 0.82 MTNR1A (0.62) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL9120412 0.82 MTNR1A (0.62) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL12479984 0.82 MTNR1A (0.62) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL12479232 0.82 MTNR1A (0.66) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL9040429 0.81 MTNR1A (0.61) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL19911358 0.81 MTNR1A (0.61) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL10603795 0.80 MTNR1A (0.59) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL23927928 0.80 MTNR1A (0.60) MTNR1AMTNR1BHTTALDH1A1HPGD

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 4 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 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 531/4885HTT 190/4885

“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.