SCHEMBL4769824

SCHEMBL4769824

O=C(O)NCCOCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 2/20 0.67
LMNA P02545 1/20 0.65
ASAH1 Q13510 2/20 0.53
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3508948 0.93 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL17162119 0.92 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL21070867 0.92 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL23043307 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HTTLMNAASAH1
SCHEMBL29025356 0.86 EPHX2 (0.57) SMN1; SMN2HTTLMNATSHRL3MBTL1
SCHEMBL8914641 0.86 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL18626198 0.86 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL7332230 0.86 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL8604263 0.86 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1TSHR
SCHEMBL1577945 0.84 SMN1; SMN2 (0.75) SMN1; SMN2HTTLMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023102523-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1824863-A1 SILICON COMPOUNDS AND THEIR USE Takeda Cambridge Limited (GB) 2007-08-29 EP disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
WO-2006064277-A1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LIMITED (GB) 2006-06-22 WO disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 SMN1; SMN2 3976/4885HTT 4139/4885LMNA 1295/4885

“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.