SCHEMBL90730

SCHEMBL90730

CC1(C)Oc2ccc(NC3CC3)cc2N(CCCN2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 9/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8235590 0.85 ALDH1A1 (0.44) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL90713 0.85 ALDH1A1 (0.44) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL90317 0.85 ALDH1A1 (0.44) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL15087905 0.85 ALDH1A1 (0.44) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL90462 0.84 REN (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL89662 0.83 REN (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL90232 0.81 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL89583 0.80 ALDH1A1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL90732 0.79 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL90354 0.79 ALDH1A1 (0.50) CYP2C19ALDH1A1POLBGAAKMT2A

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 CYP1A2 239/4885CYP2C9 211/4885CYP2C19 160/4885

“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.