SCHEMBL89510

SCHEMBL89510

N#CC1(c2ccncc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RET P07949 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
MAP4K4 O95819 1/20 0.40
OPRM1 P35372 4/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5203181 0.98 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL623994 0.96 RET (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5201558 0.91 OPRM1 (0.42) RETMAP3K20RIPK3OPRM1
SCHEMBL14862636 0.82 OPRM1 (0.37) OPRM1
SCHEMBL23778354 0.81 PDE4A (0.42) MEN1KMT2ARETMAP3K20RIPK3
Hydrochloric Acid SCHEMBL8355569 0.81 OPRM1 (0.39) ALDH1A1RETMAP3K20RIPK3OPRM1
SCHEMBL17146951 0.80 OPRM1 (0.38) MEN1KMT2AOPRM1
SCHEMBL3321621 0.80 OPRM1 (0.66) KMT2AOPRM1
SCHEMBL31417097 0.79 OPRM1 (0.34) RETMAP3K20RIPK3OPRM1
SCHEMBL56575 0.78 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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 38/4885NPC1 2676/4885RAB9A 500/4885

“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.