SCHEMBL5099245

SCHEMBL5099245

Cc1csc(NC2CCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.56
PI4KB Q9UBF8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TYR P14679 1/20 0.50
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRM5 P41594 2/20 0.44
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 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
SCHEMBL29438374 1.00 RAB9A (0.58) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL29438377 1.00 RAB9A (0.58) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL13450604 0.98 RAB9A (0.55) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL8345825 0.95 RAB9A (0.51) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL15256162 0.91 RAB9A (0.50) RAB9ANPC1PI4KBALDH1A1MAPT
SCHEMBL22532118 0.79 GRM5 (0.44) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19104738 0.77 NPC1 (0.59) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL19381865 0.77 NPC1 (0.59) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL19103059 0.77 NPC1 (0.59) RAB9ANPC1PI4KBALDH1A1TYR
SCHEMBL13326581 0.77 PRKCI (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2GAA

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
US-20220062243-A1 P14-Kinase Inhibitors with Anti-Cancer Activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
EP-1863833-B1 PROCESS FOR PREPARING MACROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-09-18 EP disclosed
US-7414067-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-19 US disclosed
EP-1610776-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-03-28 EP disclosed
CN-1791402-A Ophthalmic compositions for treating ocular hypertension MERCK & CO INC (US) 2006-06-21 CN disclosed
US-20060069256-A1 Ophthalmic compositions for treating ocular hypertension EVOTEC OAI (GB) 2006-03-30 US disclosed
EP-1610776-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co. Inc. (US) 2006-01-04 EP disclosed
WO-2004087051-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-10-14 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 (2 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-20220062243-A1 P14-Kinase Inhibitors with Anti-Cancer Activity PI4KB, CDKN1A, PI4KA RAB9A 2516/4885NPC1 2972/4885PI4KB 1/4885
US-20060069256-A1 Ophthalmic compositions for treating ocular hypertension KCNN1, KCNN3, KCNN2 RAB9A 1480/4885NPC1 275/4885PI4KB 1742/4885

“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.