SCHEMBL89396

SCHEMBL89396

COCCCOc1cc(C)ncc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
REN P00797 4/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL15087918 0.82 MEN1 (0.38) CYP1A2CYP3A4MEN1KMT2ACYP2C9
SCHEMBL90167 0.81 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL18752369 0.78 POLB (0.47) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL7869509 0.76 PDE10A (0.37) CYP1A2CYP3A4MEN1KMT2ACYP2C9
SCHEMBL89338 0.74 REN (0.38) REN
SCHEMBL25600576 0.73 L3MBTL1 (0.46) CYP1A2CYP3A4MEN1KMT2ACYP2C9
SCHEMBL16455678 0.72 AAK1 (0.39) CYP1A2CYP3A4CYP2C19L3MBTL1KDM4E
SCHEMBL10224229 0.70 L3MBTL1 (0.65) CYP1A2CYP3A4MEN1KMT2ACYP2C9
SCHEMBL90718 0.70 POLB (0.37) CYP1A2CYP3A4MEN1KMT2ACYP2C9
SCHEMBL27102695 0.69 P2RX3 (0.47) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC6A2 640/4885SLC6A4 895/4885SLC6A3 428/4885

“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.