SCHEMBL90462

SCHEMBL90462

COCCCN1C(=O)C(C)(C)Oc2ccc(NC3CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.51
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 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
SCHEMBL89662 0.97 REN (0.48) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL90232 0.94 ALDH1A1 (0.48) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8255122 0.89 REN (0.40) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL15087905 0.87 ALDH1A1 (0.44) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL90713 0.87 ALDH1A1 (0.44) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8235590 0.87 ALDH1A1 (0.44) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL90317 0.87 ALDH1A1 (0.44) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL90610 0.86 REN (0.55) RENALDH1A1KMT2AMEN1POLB
SCHEMBL89583 0.85 ALDH1A1 (0.45) RENALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL89485 0.85 REN (0.56) RENCYP2C9CYP2D6CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US 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
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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 (2 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885ALDH1A1 39/4885KMT2A 3192/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885ALDH1A1 38/4885KMT2A 3129/4885

“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.