SCHEMBL89967

SCHEMBL89967

CC1(C)Oc2ccc(NC3CC3)cc2N(CCOC2CCCCO2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
POLB P06746 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
P2RX3 P56373 3/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL89398 0.95 ALDH1A1 (0.43) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL90232 0.83 ALDH1A1 (0.48) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL89583 0.82 ALDH1A1 (0.45) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL90354 0.81 ALDH1A1 (0.50) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL89662 0.81 REN (0.48) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL90462 0.80 REN (0.51) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL8235590 0.78 ALDH1A1 (0.44) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL13434192 0.70 ALDH1A1 (0.43) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL8255122 0.69 REN (0.40) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL89485 0.69 REN (0.56)

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 ALDH1A1 38/4885POLB 589/4885GAA 309/4885

“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.