SCHEMBL3631069

SCHEMBL3631069

CCCC(CC)(C(N)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
KIF11 P52732 2/20 0.42
HDAC1 Q13547 1/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KCNN4 O15554 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL28150792 0.93 HTT (0.56) HTTKMT2AMAPTKIF11LMNA
SCHEMBL431187 0.89 HTT (0.59) HTTKMT2AMAPTKIF11HDAC1
SCHEMBL27510376 0.86 HTT (0.50) HTTKMT2AMAPTKIF11LMNA
SCHEMBL1076574 0.85 TSHR (0.50) HTTKMT2AMAPTKIF11HDAC1
SCHEMBL4558656 0.85 HTT (0.49) HTTKMT2AMAPTKIF11HDAC1
SCHEMBL27927747 0.84 HTT (0.54) HTTKMT2AMAPTKIF11HDAC1
SCHEMBL20541470 0.84 HTT (0.54) HTTKMT2AMAPTKIF11LMNA
SCHEMBL4558974 0.83 HTT (0.47) HTTKMT2AMAPTKIF11LMNA
SCHEMBL19971848 0.82 KIF11 (0.44) HTTKMT2AKIF11LMNACYP2D6
SCHEMBL4002970 0.81 TSHR (0.53) HTTKMT2AMAPTKIF11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102438977-B Continuous method for producing amides of aliphatic carboxylic acids CLARIANT FINANCE BVI LTD 2015-02-25 CN disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HTT 1878/4885KMT2A 3192/4885MAPT 602/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HTT 1878/4885KMT2A 3192/4885MAPT 602/4885

“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.