SCHEMBL3070165

SCHEMBL3070165

COc1ccccc1CCOCCOc1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
YAP1 P46937 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MBTPS1 Q14703 1/20 0.39
TACR1 P25103 4/20 0.38
REN P00797 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3087402 0.89 PDE4B (0.44) MEN1KMT2ANPC1APOBEC3ARAB9A
SCHEMBL3077182 0.88 REN (0.48) REN
SCHEMBL3072743 0.87 ALDH1A1 (0.40) MEN1KMT2ANPC1APOBEC3ARAB9A
SCHEMBL6042634 0.86 KDM1A (0.46) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL3073277 0.85 NPC1 (0.38) MEN1KMT2ANPC1APOBEC3ARAB9A
SCHEMBL3079368 0.85 LMNA (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3082346 0.85 LMNA (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6043844 0.83 MEN1 (0.45) MEN1KMT2ANPC1RAB9AKDM1A
SCHEMBL3079425 0.82 MTNR1B (0.44) KMT2ANPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL3078335 0.81 RAB9A (0.36) MEN1KMT2ANPC1APOBEC3ARAB9A

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 MEN1 2817/4885KMT2A 3839/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885NPC1 794/4885

“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.