SCHEMBL8434249

SCHEMBL8434249

CCNC(=O)CN(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
FAAH O00519 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
DNM1 Q05193 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
KMT2A Q03164 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 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
SCHEMBL24773822 0.83 FAAH (0.45) MCL1FAAHALDH1A1HPGDDNM1
SCHEMBL3039287 0.81 ALOX15 (0.42) MCL1FAAHALDH1A1HPGDDNM1
SCHEMBL5034969 0.80 MCL1 (0.41) MCL1FAAHALDH1A1TSHRLMNA
SCHEMBL29952363 0.79 MCL1 (0.34) MCL1FAAHALDH1A1HPGD
SCHEMBL21763650 0.79 PIK3CD (0.38) MCL1FAAHALDH1A1HPGDTSHR
SCHEMBL11617336 0.78 MAPT (0.36) MCL1ALDH1A1HPGDMAPTLMNA
SCHEMBL15220896 0.77 MCL1 (0.33) MCL1FAAHALDH1A1HPGDTSHR
SCHEMBL19026685 0.77 ALDH1A1 (0.35) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL18458463 0.76 CAPN1 (0.34) MCL1FAAHALDH1A1HPGDDNM1
SCHEMBL1829003 0.75

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
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A MCL1 2706/4885FAAH 900/4885ALDH1A1 173/4885

“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.