SCHEMBL19682136

SCHEMBL19682136

CCCCCCC(C)(CCCC)c1cnc2c(c1)CCCCCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 4/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CNR2 P34972 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL18949127 1.00 CNR1 (0.34) CNR1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL22353466 0.96 CNR1 (0.34) CNR1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL18949159 0.82 ADRA2A (0.35) ADRA2AADRA2BADRA2C
SCHEMBL22353570 0.79 ADRA2A (0.37) CNR1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL18949087 0.76 ADRA2A (0.39) ADRA2AADRA2BADRA2CKDM4E
SCHEMBL18949167 0.75 ADRA2A (0.42) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL18949157 0.75 ADRA2A (0.42) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL22674620 0.70 CNR2 (0.37) CNR1CNR2
SCHEMBL19252460 0.70 CNR2 (0.37) CNR1CNR2
SCHEMBL24917957 0.70 HTR2A (0.35) ALDH1A1ADRA2AADRA2BADRA2CNPC1

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
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 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-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA CNR1 4405/4885ALDH1A1 2054/4885ADRA2A 3601/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA CNR1 4405/4885ALDH1A1 2054/4885ADRA2A 3601/4885

“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.