SCHEMBL663585

SCHEMBL663585

CC(C)(C)N(C(=O)O)C1(Cc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
OPRD1 P41143 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
PYCR1 P32322 1/20 0.31
GAA P10253 1/20 0.31
P2RX7 Q99572 1/20 0.31
PTPRC P08575 1/20 0.30

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
SCHEMBL662636 0.85 AKR1B1 (0.31)
SCHEMBL20560065 0.80 PYCR1 (0.39) ALDH1A1CYP1A2LMNAKDM4ESMN1; SMN2
SCHEMBL660632 0.78 LMNA (0.37) ALDH1A1CYP1A2LMNAKDM4ETDP1
SCHEMBL1072358 0.76 MRGPRX4 (0.38) ALDH1A1PTGDR2LMNAKDM4EKMT2A
SCHEMBL2516419 0.74 ALDH1A1 (0.43) ALDH1A1CYP1A2PTGDR2LMNAKDM4E
SCHEMBL663588 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2LMNAKDM4ETDP1
SCHEMBL1072456 0.71 PNMT (0.30)
SCHEMBL664894 0.69 P2RX7 (0.36) ALDH1A1CYP1A2PTGDR2LMNASMN1; SMN2
SCHEMBL663587 0.68 HPGD (0.33) ALDH1A1CYP1A2LMNAKDM4EHPGD
SCHEMBL664893 0.68 MEN1 (0.41) ALDH1A1LMNAKMT2AMEN1

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 2 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-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 2104/4885CYP1A2 1154/4885PTGDR2 1386/4885

“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.