SCHEMBL556935

SCHEMBL556935

COc1cc(C2CCN(C(=O)O)CC2c2ccc(Br)cc2Cl)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.42
TACR2 P21452 2/20 0.37
TACR1 P25103 2/20 0.37
KDM4E B2RXH2 3/20 0.35
CCR5 P51681 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RECQL P46063 1/20 0.33
TAC3 Q9UHF0 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
GPR183 P32249 1/20 0.33

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
SCHEMBL534498 0.79 SPR (0.43) KDM4ECCR5KCNH2ALDH1A1
SCHEMBL533962 0.78 REN (0.40) TACR2TACR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL534505 0.76 REN (0.36) KCNH2SLC6A4
SCHEMBL534504 0.76 REN (0.36) KCNH2SLC6A4
SCHEMBL534503 0.76 REN (0.36) KCNH2SLC6A4
SCHEMBL533993 0.72 CCKBR (0.41)
SCHEMBL4321575 0.72 PDE4A (0.45) PROKR1KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL533961 0.72 SMN1; SMN2 (0.35) TACR2TACR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL557048 0.70 GPR119 (0.46) TACR1KDM4EALDH1A1
SCHEMBL534491 0.69 SPR (0.37) KDM4ECCR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 PROKR1 477/4885TACR2 411/4885TACR1 205/4885

“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.