SCHEMBL14802478

SCHEMBL14802478

CC1(C)OB(c2ccc(N3CCCC3=O)cn2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 4/20 0.39
HRH1 P35367 1/20 0.38
PIP4K2A P48426 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 3/20 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
SCHEMBL10137354 0.81 PCSK9 (0.41) HRH3
SCHEMBL794275 0.80 ALDH1A1 (0.49) AKR1C3ALDH1A1KDM4EKMT2ANPC1
SCHEMBL22554161 0.77 PDGFRB (0.43) AKR1C3ALDH1A1KDM4EKMT2AHRH3
SCHEMBL20315309 0.77 PARP1 (0.41) ALDH1A1KDM4EKMT2AHPGD
SCHEMBL2700073 0.76 ALDH1A1 (0.44) AKR1C3ALDH1A1KDM4EKMT2AHPGD
SCHEMBL17841510 0.74 CCR6 (0.41) ALDH1A1KDM4EKMT2ANPC1HPGD
SCHEMBL10258354 0.74 CNR2 (0.44) HRH3
SCHEMBL12068158 0.74 KMT2A (0.52) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL29734988 0.74 ALDH1A1 (0.46) AKR1C3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL26921780 0.74 ALDH1A1 (0.46) AKR1C3ALDH1A1KDM4EKMT2ASMN1; SMN2

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-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 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 (1 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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 AKR1C3 788/4885ALDH1A1 3196/4885KDM4E 2533/4885

“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.