SCHEMBL3068210

SCHEMBL3068210

CNC(=O)CCc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
MTNR1A P48039 3/20 0.48
MTNR1B P49286 1/20 0.48
IAPP P10997 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
AKR1B1 P15121 1/20 0.47
MPO P05164 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL3071452 0.89 MTNR1A (0.54) HSPA5MTNR1AIAPPTAAR1AKR1B1
SCHEMBL26048392 0.85 TAAR1 (0.55) HSPA5IAPPTAAR1AKR1B1MPO
SCHEMBL363391 0.81 NOTUM (0.56) MTNR1AMTNR1BTAAR1CCNCCDK8
SCHEMBL2320246 0.81 GAA (0.58) HSPA5IAPPTAAR1AKR1B1MPO
SCHEMBL26345691 0.81 TAAR1 (0.47) HSPA5IAPPTAAR1AKR1B1MPO
SCHEMBL4371077 0.81 AKR1B1 (0.61) HSPA5AKR1B1MPOCYP2D6TSHR
SCHEMBL12851277 0.80 TAAR1 (0.55) MTNR1AMTNR1BTAAR1NPC1RAB9A
SCHEMBL6319492 0.80 TAAR1 (0.55) MTNR1AMTNR1BTAAR1NPC1RAB9A
SCHEMBL7238656 0.79 RAB9A (0.54) NPC1PKMRAB9A
SCHEMBL29934495 0.79 IAPP (0.72) HSPA5IAPPTAAR1AKR1B1MPO

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-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
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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 HSPA5 1359/4885MTNR1A 2695/4885MTNR1B 1389/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 HSPA5 1359/4885MTNR1A 2695/4885MTNR1B 1389/4885

“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.