SCHEMBL3080397

SCHEMBL3080397

O=C(O)N1CCC(c2ccc(OCCCOc3cccc(Cl)c3)cc2)C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
KDM4E B2RXH2 4/20 0.47
PPARG P37231 5/20 0.47
PPARD Q03181 5/20 0.47
FFAR1 O14842 4/20 0.47
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 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
SCHEMBL5968566 0.89 HRH3 (0.42) HRH3KDM4EALDH1A1TP53TSHR
SCHEMBL3193386 0.89 RAB9A (0.45) KDM4EALDH1A1TSHR
SCHEMBL3081651 0.88 KDM1A (0.43) PPARDFFAR1ALDH1A1
SCHEMBL3085349 0.88 KMT2A (0.50) HRH3KDM4EPPARGPPARDFFAR1
SCHEMBL3072493 0.88 HRH3 (0.49) HRH3KDM4EPPARGPPARDFFAR1
SCHEMBL6041843 0.87 RAB9A (0.45) HRH3KDM4EALDH1A1TSHR
SCHEMBL3084820 0.87 PDE4B (0.46) HRH3KDM4ETP53
SCHEMBL6043844 0.86 MEN1 (0.45) ALDH1A1TSHR
SCHEMBL3072128 0.85 KDM1A (0.42) HRH3PPARGPPARDFFAR1ALDH1A1
SCHEMBL3072157 0.85 KDM4E (0.47) HRH3KDM4EPPARGPPARDALDH1A1

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 HRH3 1653/4885KDM4E 1843/4885PPARG 258/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 HRH3 1653/4885KDM4E 1843/4885PPARG 258/4885

“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.