Sugi Predict

Sugi Predict / Compounds / SCHEMBL7541895

SCHEMBL7541895

SCHEMBL7541895

CC(C(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(=N)N2)C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CHRM3 P20309 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ADAMTS5 Q9UNA0 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GAA P10253 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
SCHEMBL12191340 0.87 MMP1 (0.39) NPC1
SCHEMBL8198706 0.87 MMP1 (0.39) NPC1
SCHEMBL7550278 0.87 MMP1 (0.39) NPC1
SCHEMBL7605162 0.85 ALDH1A1 (0.40) HPGDTSHRALDH1A1KDM4ENPC1
SCHEMBL13081566 0.85 ALDH1A1 (0.40) HPGDTSHRALDH1A1KDM4ENPC1
SCHEMBL7544856 0.83 KDM4E (0.46) ALDH1A1KDM4E
SCHEMBL7602707 0.82 HTT (0.45) HPGDTSHRALDH1A1KDM4ENPC1
SCHEMBL8206085 0.82 ALDH1A1 (0.45) HPGDTSHRMAPK1ALDH1A1KDM4E
SCHEMBL7555559 0.82 HPGD (0.44) HPGDTSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14105808 0.82 HPGD (0.44) HPGDTSHRMAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231018-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 — — 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 (4 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 ATM 2955/4885HDAC3 978/4885HDAC1 969/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ATM 1274/4885HDAC3 1598/4885HDAC1 883/4885
US-20120231018-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ATM 1274/4885HDAC3 1598/4885HDAC1 883/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ATM 1274/4885HDAC3 1598/4885HDAC1 883/4885

“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.