SCHEMBL89611

SCHEMBL89611

CCCCC(=O)Nc1cc(CNC2CC2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 2/20 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
SCHEMBL89061 0.82 KMT2A (0.56) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL90352 0.81 KMT2A (0.55) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL90347 0.80 KMT2A (0.54) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL15087924 0.80 KMT2A (0.54) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL1911374 0.80 KMT2A (0.54) CNR1CNR2KDM4EHSD17B10L3MBTL1
SCHEMBL57079 0.75 ALDH1A1 (0.86) TSHRALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL8235184 0.74 ALDH1A1 (0.51) TSHRALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13753200 0.71 MTNR1B (0.75) ALDH1A1KDM4EL3MBTL1KMT2AMTNR1A
SCHEMBL11304280 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13753202 0.70 L3MBTL1 (0.84) ALDH1A1CNR1CNR2L3MBTL1KMT2A

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885ALDH1A1 38/4885CNR1 1200/4885

“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.