SCHEMBL3073277

SCHEMBL3073277

C=CCOC1CN(C(=O)O)CCC1c1ccc(OCCOCCc2ccccc2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
REN P00797 10/20 0.37
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
YAP1 P46937 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TACR1 P25103 2/20 0.34

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
SCHEMBL3072042 0.90 PDE4B (0.40) NPC1RAB9AAPOBEC3AAPOBEC3GREN
SCHEMBL3079026 0.90 REN (0.48) REN
SCHEMBL3072743 0.90 ALDH1A1 (0.40) NPC1RAB9AAPOBEC3AAPOBEC3GREN
SCHEMBL3070165 0.85 MEN1 (0.41) NPC1RAB9AAPOBEC3AAPOBEC3GREN
SCHEMBL3079425 0.84 MTNR1B (0.44) NPC1RAB9AAPOBEC3AAPOBEC3GREN
SCHEMBL3078335 0.83 RAB9A (0.36) NPC1RAB9AAPOBEC3AAPOBEC3GREN
SCHEMBL3081977 0.80 PPARG (0.39) NPC1RAB9ATEAD1TEAD3ALDH1A1
SCHEMBL3073714 0.80 REN (0.45) REN
SCHEMBL6041963 0.80 REN (0.45) RENYAP1KDM1AMAOAMAOB
SCHEMBL6041313 0.80 REN (0.48) RENYAP1KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US 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-20090012055-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885RAB9A 1066/4885APOBEC3A 4608/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885RAB9A 1066/4885APOBEC3A 4608/4885

“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.