SCHEMBL663835

SCHEMBL663835

c1ccc2c(CNC3CC3)ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
TACR3 P29371 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8821304 0.90 TACR1 (0.50) TACR1LOXL2DPP4DPP8DPP7
SCHEMBL1518133 0.89 TACR1 (0.43) TACR1DPP4DPP8DPP7KDM4E
SCHEMBL6871329 0.81 NSD2 (0.69) TACR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6871324 0.81 NSD2 (0.69) TACR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13795187 0.80 MCHR1 (0.61)
SCHEMBL5402388 0.78 L3MBTL1 (0.52) TACR1LOXL2ALDH1A1
SCHEMBL3363299 0.77 SMN1; SMN2 (0.49) TACR1LOXL2DPP4DPP8DPP7
SCHEMBL238721 0.76 KDM1A (0.61)
SCHEMBL13262990 0.76 KDM1A (0.61)
SCHEMBL238720 0.76 KDM1A (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 TACR1 294/4885LOXL2 3295/4885DPP4 14/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT TACR1 391/4885LOXL2 3840/4885DPP4 32/4885

“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.