SCHEMBL3298705

SCHEMBL3298705

CN(C)[C@H]1CCN(c2c(-c3ccccc3)cc(C#N)c(N)c2I)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.39
HTR3A P46098 2/20 0.39
HTR6 P50406 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
MAPK8 P45983 2/20 0.39
BTK Q06187 2/20 0.39
MRGPRX2 Q96LB1 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ADRA1B P35368 1/20 0.39
MAPK10 P53779 1/20 0.38
MCHR1 Q99705 3/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CHEK2 O96017 2/20 0.35
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL3296728 0.82 HTR1D (0.36) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3300980 0.80 HTR1D (0.41) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3296460 0.75 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295806 0.75 CHEK2 (0.36) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3294990 0.73 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
Hydrochloric Acid SCHEMBL3296735 0.73 HTR1D (0.40) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295402 0.72 MAPK8 (0.39) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3299629 0.71 MEN1 (0.43) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL6651706 0.69 CHRM1 (0.41) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL1748798 0.69 GAA (0.48) PDCD1CD274EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS HTR1D 4077/4885HTR3A 4632/4885HTR6 4512/4885

“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.