SCHEMBL89482

SCHEMBL89482

COCCCOc1nc(NC2CC2)ccc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
MERTK Q12866 3/20 0.38
TYRO3 Q06418 1/20 0.38
GAS6 Q14393 1/20 0.38
HCAR3 P49019 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SYK P43405 3/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDH1 O75874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR1 P21554 1/20 0.34
MAP4K4 O95819 1/20 0.34
JAK3 P52333 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL89866 0.79 TUBB4A (0.44) ALDH1A1TSHRTDP1KDM4ECNR1
SCHEMBL89860 0.78 REN (0.37) MERTKTYRO3GAS6SYK
SCHEMBL2305803 0.72 TUBB4A (0.45) ALDH1A1TSHRTDP1KDM4ECNR1
SCHEMBL1937131 0.72 BTK (0.42) MERTKJAK3TYK2
SCHEMBL1937132 0.72 BTK (0.42) MERTKJAK3TYK2
SCHEMBL12701307 0.71 KDM4E (0.46) RIPK1HCAR3ALDH1A1TSHRKDM4E
SCHEMBL12408591 0.70 ROCK2 (0.47) SYKMAP4K4
SCHEMBL90675 0.69 KMT2A (0.40) MERTKTYRO3GAS6HCAR3KDM4E
Hydrochloric Acid SCHEMBL1938174 0.69 ROCK2 (0.47) SYKMAP4K4
Hydrochloric Acid SCHEMBL1938175 0.69 ROCK2 (0.47) SYKMAP4K4

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 RIPK1 4263/4885MERTK 3469/4885TYRO3 914/4885

“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.