SCHEMBL5097684

SCHEMBL5097684

O=C(OCc1ccccc1)N1CC2Cc3ccccc3CC1CN2C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AGTR2 P50052 5/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTR2C P28335 1/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL5097657 0.92 NPSR1 (0.46) NPC1RAB9AL3MBTL1AGTR2PSEN1
SCHEMBL14218351 0.86 HTR2C (0.47) NPC1RAB9AL3MBTL1AGTR2PSEN1
SCHEMBL2282075 0.81 HTR2C (0.52) NPC1RAB9AL3MBTL1AGTR2PSEN1
SCHEMBL17294985 0.80 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL4534787 0.80 AGTR2 (0.50) NPC1RAB9AAGTR2PSEN1PSEN2
SCHEMBL9865373 0.79 HDAC1 (0.50) NPC1RAB9AL3MBTL1AGTR2PSEN1
SCHEMBL1690517 0.79 NPSR1 (0.56) NPC1RAB9AL3MBTL1NPSR1HTR2C
SCHEMBL18970283 0.79 NPSR1 (0.56) NPC1RAB9AL3MBTL1NPSR1HTR2C
SCHEMBL927563 0.79 PSEN1 (0.49) NPC1RAB9AAGTR2PSEN1PSEN2
SCHEMBL1052393 0.79 NPSR1 (0.62) L3MBTL1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371754-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2008-05-13 US disclosed
EP-1496907-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1496907-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1496907-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-05-10 EP disclosed
US-20050227988-A1 compounds capable of inhibiting, modulating and/or regulating signal transduction of both receptor-type and non-receptor type tyrosine kinases; gliomas, meningomas, cancers, Hodgkin's disease, retinal vascularization; core structure that comprises a benzazocine moiety MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1496907-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 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-20050227988-A1 compounds capable of inhibiting, modulating and/or regulating signal transduction of both receptor-type and non-receptor type tyrosine kinases; gliomas, meningomas, cancers, Hodgkin's disease, retinal vascularization; core structure that comprises a benzazocine moiety KDR, RET, FLT1 NPC1 2550/4885RAB9A 1963/4885L3MBTL1 4579/4885

“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.