SCHEMBL3117019

SCHEMBL3117019

N#CCCCN(CCCC#N)c1ccc(N(c2ccc(N(CCCC#N)CCCC#N)cc2)c2ccc(N(CCCC#N)CCCC#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GRIA2 P42262 1/20 0.35
KCNA3 P22001 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHR1 P34998 1/20 0.32
MLYCD O95822 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2005077 1.00 TSHR (0.36) TSHRGRIA2KCNA3KCNN4KCNA5
SCHEMBL20207409 0.96 TSHR (0.36) TSHRGRIA2KCNA3KCNN4KCNA5
SCHEMBL6020194 0.94 MLYCD (0.37) TSHRGRIA2SLC16A3SLC16A1USP2
SCHEMBL7602428 0.87 TSHR (0.40) TSHRUSP2HSD17B10CRHR1ALDH1A1
SCHEMBL20207415 0.87 TSHR (0.40) TSHRUSP2HSD17B10CRHR1ALDH1A1
SCHEMBL14947359 0.84 CYP2C19 (0.40) TSHRGRIA2HSD17B10ALDH1A1
SCHEMBL151638 0.77 TSHR (0.47) TSHRKCNA3KCNN4KCNA5USP2
SCHEMBL6206075 0.77 KDM4E (0.36) HSD17B10ALDH1A1HPGD
SCHEMBL13900261 0.77 KCNN4 (0.32) KCNN4KCNA5
SCHEMBL21173008 0.75 MAPT (0.35) TSHRGRIA2SLC16A3SLC16A1CRHR1

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-20100249461-A1 TRIARYLAMINE DERIVATIVE MASAKI TOMOHITO 2010-09-30 US disclosed
US-20080255388-A1 TRIARYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2008-10-16 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-20100249461-A1 TRIARYLAMINE DERIVATIVE ADRB3, YWHAZ, DRD2 TSHR 84/4885GRIA2 467/4885KCNA3 910/4885
US-20080255388-A1 TRIARYLAMINE DERIVATIVE GPR35, NR1I2, GPR55 TSHR 114/4885GRIA2 386/4885KCNA3 1197/4885

“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.