SCHEMBL420548

SCHEMBL420548

CC(C#N)(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TACR1 P25103 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL423832 0.83 LMNA (0.39) LMNAMAPTTACR1KCNH2ALDH1A1
SCHEMBL2296718 0.66 MAPT (0.53) LMNAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1625398 0.66 TSHR (0.45) ALDH1A1HTR2BSMN1; SMN2MAPK1GAA
SCHEMBL14894531 0.65 KDM1A (0.42) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL14433880 0.65 ALDH1A1 (0.67) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
Acetonitrile SCHEMBL28134599 0.65 TSHR (0.58) ALDH1A1HTR2BMAPK1GAATSHR
SCHEMBL167506 0.64 TSHR (0.48) TACR1ALDH1A1HTR2BSMN1; SMN2MAPK1
SCHEMBL22816111 0.64 HTR2C (0.57) TACR1CHRM2HTR1ADRD3HTR2B
SCHEMBL15322118 0.64 OPRL1 (0.52) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1498492 0.64 LRRK2 (0.36) LMNATACR1HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 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 (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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B LMNA 2615/4885MAPT 1518/4885TACR1 337/4885

“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.