SCHEMBL17600730

SCHEMBL17600730

O=C(c1cccnc1)N1CCCC[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
VNN1 O95497 4/20 0.52
KDM4E B2RXH2 2/20 0.48
DPP4 P27487 1/20 0.48
PREP P48147 1/20 0.48
FAP Q12884 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
CNR2 P34972 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PIK3CD O00329 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL17600733 1.00 ALDH1A1 (0.52) ALDH1A1VNN1KDM4EDPP4PREP
SCHEMBL30589318 1.00 ALDH1A1 (0.52) ALDH1A1VNN1KDM4EDPP4PREP
SCHEMBL17600743 0.96 DPP4 (0.52) ALDH1A1VNN1DPP4PREPFAP
SCHEMBL17600745 0.96 DPP4 (0.52) ALDH1A1VNN1DPP4PREPFAP
SCHEMBL17600741 0.83 SPHK2 (0.59) HPGDGAAMEN1KMT2ANPC1
SCHEMBL17600738 0.83 SPHK2 (0.59) HPGDGAAMEN1KMT2ANPC1
SCHEMBL17600723 0.81 GRM5 (0.55) VNN1CNR2HPGDGAA
SCHEMBL17600726 0.81 GRM5 (0.55) VNN1CNR2HPGDGAA
SCHEMBL7592715 0.80 ALDH1A1 (0.61) ALDH1A1VNN1CNR2HTTTDP1
SCHEMBL27411313 0.80 PIK3CD (0.43) ALDH1A1KDM4EHPGDPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
EP-2970196-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2020-11-25 EP disclosed
US-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-10-03 US disclosed
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-07-04 US disclosed
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-07-04 US disclosed
US-20190010121-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOBLOGIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-01-10 US disclosed
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc (US) 2016-03-24 US disclosed
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc (US) 2016-03-24 US disclosed
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc (US) 2016-03-24 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 (6 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-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1067/4885VNN1 2124/4885KDM4E 1857/4885
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885VNN1 2317/4885KDM4E 1701/4885
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885VNN1 2317/4885KDM4E 1701/4885
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1067/4885VNN1 2124/4885KDM4E 1857/4885
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885VNN1 2317/4885KDM4E 1701/4885
US-20190010121-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOBLOGIN HBG2, HBG1, HBB ALDH1A1 1507/4885VNN1 790/4885KDM4E 2946/4885

“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.