SCHEMBL663588

SCHEMBL663588

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.34
LMNA P02545 5/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
TSHR P16473 1/20 0.32
RIPK1 Q13546 1/20 0.32
CCR5 P51681 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL662639 0.86 AKR1B1 (0.31)
SCHEMBL2516419 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2LMNAKMT2AHPGD
SCHEMBL660635 0.78 REN (0.39) ALDH1A1CYP1A2LMNAKMT2AMEN1
SCHEMBL1787353 0.76 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL663585 0.73 ALDH1A1 (0.37) ALDH1A1CYP1A2LMNAKMT2AHPGD
SCHEMBL1072459 0.72 REN (0.32)
SCHEMBL663048 0.72
SCHEMBL1072758 0.70
SCHEMBL664893 0.69 MEN1 (0.41) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL29211248 0.67 ALDH1A1 (0.43) ALDH1A1CYP1A2LMNAKMT2AHPGD

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 1154/4885LMNA 1559/4885

“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.