SCHEMBL90005

SCHEMBL90005

NC(=O)C1(c2cncc(F)c2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
LMNA P02545 1/20 0.43
HCAR2 Q8TDS4 1/20 0.40
HDAC4 P56524 8/20 0.37
ELOVL1 Q9BW60 5/20 0.36
P2RX7 Q99572 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL17025842 0.80 LMNA (0.51) LMNAHCAR2HDAC4HDAC3HDAC1
SCHEMBL30910237 0.78 HCAR2 (0.47) HCAR2HDAC4ELOVL1
SCHEMBL18742688 0.78 LMNA (0.45) CYP11B2LMNAHCAR2HDAC4HDAC3
SCHEMBL16266715 0.74 LMNA (0.54) LMNAHDAC4P2RX7HDAC3HDAC1
SCHEMBL23232308 0.74 HCAR2 (0.37) CYP11B2HCAR2HDAC4ELOVL1P2RX7
SCHEMBL89666 0.74
SCHEMBL42559 0.74 LMNA (0.53) LMNAHDAC4HDAC1
SCHEMBL16196153 0.73 CYP11B2 (0.45) CYP11B2LMNAHCAR2
SCHEMBL3842811 0.73 LMNA (0.55) LMNAHDAC4P2RX7HDAC1
SCHEMBL10002509 0.72 LMNA (0.48) LMNAHCAR2HDAC4P2RX7

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 6 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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 CYP11B2 118/4885LMNA 1594/4885HCAR2 1737/4885

“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.