SCHEMBL89741

SCHEMBL89741

COCCOc1cc(CNC2CC2)cc2c1CCCO2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 6/20 0.41
SLC6A4 P31645 6/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.39
MITF O75030 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.35
OPRK1 P41145 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
SCHEMBL56099 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBHTR1ASLC6A4
SCHEMBL90483 0.87 REN (0.42) ALDH1A1KDM4EPOLBHTR1ASLC6A4
SCHEMBL88826 0.82 HTR1A (0.41) HTR1ASLC6A4CYP2D6PARP1
SCHEMBL89476 0.81 SLC6A4 (0.43) HTR1ASLC6A4CYP2D6PARP1
SCHEMBL89321 0.81 HTR1A (0.41) HTR1ASLC6A4CYP2D6PARP1
SCHEMBL10283463 0.81 SLC6A4 (0.41) HTR1ASLC6A4CYP2D6PARP1
SCHEMBL13132074 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBHTR1ASLC6A4
SCHEMBL88824 0.76 REN (0.37) ALDH1A1KDM4EHTR1ASLC6A4PARP1
SCHEMBL13132076 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL89790 0.75 HTR1A (0.38) HTR1ASLC6A4

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 5 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

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 38/4885KDM4E 1650/4885POLB 589/4885

“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.