SCHEMBL89268

SCHEMBL89268

CC[C@@H](C)N(Cc1cc(OC)cc(OCCCOC)c1)C(=O)[C@@H]1C[C@H](C(=O)NC(CO)CC(C)C)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 4/20 0.34
PDE4B Q07343 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 1/20 0.32
SGMS2 Q8NHU3 3/20 0.32
SGMS1 Q86VZ5 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL89453 1.00 REN (0.36) RENALDH1A1LMNAKCNH2PDE4B
SCHEMBL90815 0.93 REN (0.37) RENALDH1A1LMNAKCNH2PDE4B
SCHEMBL89092 0.89 REN (0.46) RENALDH1A1LMNAKCNH2PDE4B
SCHEMBL89207 0.88 REN (0.46) RENALDH1A1LMNAKCNH2CNR2
SCHEMBL89204 0.86 REN (0.44) RENALDH1A1LMNAKCNH2
SCHEMBL89818 0.86 REN (0.41) RENALDH1A1LMNAKCNH2PDE4B
SCHEMBL89028 0.85 REN (0.48) RENKCNH2
SCHEMBL89703 0.85 REN (0.48) RENKCNH2
SCHEMBL89737 0.83 REN (0.44) RENALDH1A1LMNAKCNH2PDE4B
SCHEMBL89244 0.83 REN (0.43) RENALDH1A1LMNATSHRMEN1

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 2 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-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 REN 1/4885ALDH1A1 38/4885LMNA 1594/4885

“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.