SCHEMBL89091

SCHEMBL89091

CCCCCN1C(=O)C(C)(C)Oc2ccc(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.46
SCN9A Q15858 7/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13091047 0.91 ALDH1A1 (0.47) RENMAPTALDH1A1RECQLHPGD
SCHEMBL13434188 0.88 MAPT (0.46) RENMAPTALDH1A1RECQLHPGD
SCHEMBL13434196 0.87 MAPT (0.45) RENMAPTALDH1A1RECQLHPGD
SCHEMBL89403 0.87 REN (0.46) RENMAPTALDH1A1RECQLHPGD
SCHEMBL90227 0.87 MAPT (0.44) RENMAPTALDH1A1RECQLHPGD
SCHEMBL88801 0.87 MAPT (0.47) RENMAPTALDH1A1RECQLHPGD
SCHEMBL13434190 0.86 REN (0.56) RENMAPTALDH1A1RECQLHPGD
SCHEMBL7606437 0.85 REN (0.44) RENSCN9AMAPTALDH1A1RECQL
SCHEMBL89417 0.85 REN (0.59) RENMAPTALDH1A1RECQLHPGD
SCHEMBL89089 0.85 MAPT (0.43) RENMAPTALDH1A1RECQLHPGD

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 1/4885SCN9A 1385/4885MAPT 1089/4885

“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.