SCHEMBL3071999

SCHEMBL3071999

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)O)CC2OCCOc2ccccc2CCNC(=O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
REN P00797 13/20 0.44
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.39

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
SCHEMBL3070946 0.93 REN (0.44) NPC1APOBEC3ARAB9AAPOBEC3GREN
SCHEMBL3072693 0.93 REN (0.51) NPC1APOBEC3ARAB9AAPOBEC3GREN
SCHEMBL3079274 0.93 REN (0.45) NPC1APOBEC3ARAB9AAPOBEC3GREN
SCHEMBL3420312 0.92 NPC1 (0.45) NPC1APOBEC3ARAB9AAPOBEC3GREN
SCHEMBL3067113 0.92 REN (0.44) NPC1APOBEC3ARAB9AAPOBEC3GREN
SCHEMBL3071132 0.89 REN (0.46) REN
SCHEMBL3069431 0.89 REN (0.43) REN
SCHEMBL3070960 0.89 REN (0.44) REN
SCHEMBL3072870 0.89 REN (0.44) REN
SCHEMBL3072385 0.89 REN (0.45) REN

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
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
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 794/4885APOBEC3A 4608/4885RAB9A 1066/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885APOBEC3A 4608/4885RAB9A 1066/4885

“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.