SCHEMBL4696560

SCHEMBL4696560

COc1ccc2c(c1)ncn2CCC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GAA P10253 1/20 0.49
FGFR1 P11362 4/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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

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
SCHEMBL4698311 0.89 MTNR1A (0.60) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL19848077 0.84 MAPT (0.65) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL6638182 0.82 MTNR1A (0.52) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL19848227 0.81 MAPT (0.58) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL9041325 0.81 MAPT (0.51) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL6758619 0.80 NPC1 (0.65) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL23927890 0.80 HTR2A (0.55) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL7874916 0.80 MAPT (0.55) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL19911343 0.79 FGFR1 (0.54) MAPTGAAFGFR1ALDH1A1NPC1
SCHEMBL19848376 0.79 FGFR1 (0.54) MAPTGAAFGFR1ALDH1A1NPC1

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 MAPT 514/4885GAA 1966/4885FGFR1 800/4885

“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.