SCHEMBL3294284

SCHEMBL3294284

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(NCCC(=O)O)nc2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HTR1D P28221 2/20 0.34
HTR3A P46098 2/20 0.34
HTR6 P50406 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
MAPK8 P45983 2/20 0.34
BTK Q06187 2/20 0.34
MRGPRX2 Q96LB1 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
MAPK10 P53779 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33

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
SCHEMBL3295259 0.95 MCHR1 (0.35) MCHR1CTSLCTSBCTSSCTSK
SCHEMBL3295453 0.93 MCHR1 (0.34) MCHR1CTSLCTSBCTSSCTSK
SCHEMBL3300938 0.91 MCHR1 (0.33) MCHR1CTSLCTSBCTSSCTSK
SCHEMBL3296361 0.89 ELANE (0.41) MCHR1
SCHEMBL3294683 0.87 NAPEPLD (0.36) MCHR1CTSLCTSBCTSSCTSK
SCHEMBL3295810 0.86 HTR1D (0.38) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3297029 0.86 HTR1D (0.38) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3296134 0.84 HTR1D (0.35) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3322066 0.84 MCHR1 (0.35) MCHR1CTSLCTSBCTSSCTSK
SCHEMBL3298068 0.83 MCHR1 (0.39) MCHR1CTSLCTSBCTSSCTSK

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 MCHR1 4162/4885CTSL 1324/4885CTSB 2304/4885

“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.