SCHEMBL3240490

SCHEMBL3240490

[CH2]c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
AOC3 Q16853 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TRPA1 O75762 1/20 0.40
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
MAPK1 P28482 1/20 0.39
CA2 P00918 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3235188 0.87 CNR2 (0.56) CNR2TSHRALDH1A1KDM4EOPRM1
SCHEMBL12049793 0.87 CNR2 (0.64) CNR2TSHRALDH1A1AOC3HTT
SCHEMBL134524 0.84 TSHR (0.60) CNR2TSHRALDH1A1AOC3MMP1
SCHEMBL3240410 0.84 HTT (0.61) CNR2TSHRALDH1A1HTTKDM4E
SCHEMBL3242409 0.82 ALDH1A1 (0.54) TSHRALDH1A1AOC3TAAR1KDM4E
Ammonia Solution, Strong SCHEMBL1348044 0.82 CNR2 (0.58) CNR2TSHRALDH1A1AOC3MMP1
Hydrochloric Acid SCHEMBL2137949 0.82 CNR2 (0.58) CNR2TSHRALDH1A1AOC3MMP1
Bromide SCHEMBL6760453 0.82 CNR2 (0.58) CNR2TSHRALDH1A1AOC3MMP1
Bromide SCHEMBL11212819 0.82 CNR2 (0.58) CNR2TSHRALDH1A1AOC3MMP1
Fluoride SCHEMBL633879 0.82 CNR2 (0.58) CNR2TSHRALDH1A1AOC3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 CNR2 1730/4885TSHR 2802/4885ALDH1A1 2115/4885

“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.