SCHEMBL423832

SCHEMBL423832

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
TACR1 P25103 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2B6 P20813 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35

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
SCHEMBL420548 0.83 LMNA (0.37) LMNAMAPTTACR1KCNH2CHRM2
SCHEMBL422792 0.74 ALOX5 (0.43) LMNAMAPTTACR1CYP2B6POLB
SCHEMBL2296718 0.70 MAPT (0.53) LMNAMAPTPOLBNPC1RAB9A
SCHEMBL14433880 0.69 ALDH1A1 (0.67) LMNAMAPTRAB9AALDH1A1KDM4E
SCHEMBL22816111 0.69 HTR2C (0.57) TACR1CHRM2HTR1ADRD3HTR2B
SCHEMBL15322118 0.69 OPRL1 (0.52) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25226269 0.67 LGMN (0.50) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL1498437 0.67 MMP2 (0.43) LMNAMAPTPOLBNPSR1ALDH1A1
SCHEMBL19078367 0.67 ALDH1A1 (0.43) LMNANPSR1NPC1ALDH1A1KDM4E
Fluoride SCHEMBL30661872 0.67 TSHR (0.64) MAPTHTR2BNPSR1ALDH1A1HTR3E

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.