SCHEMBL7962292

SCHEMBL7962292

CC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.73
SLC7A5 Q01650 1/20 0.73
HRH4 Q9H3N8 3/20 0.61
HRH3 Q9Y5N1 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
LMNA P02545 1/20 0.59
APEX1 P27695 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL18162806 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL13609239 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27738090 0.87 CYP3A4 (0.90) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL28093400 0.85 CYP3A4 (0.93) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL19974306 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL3260 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5497653 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5717709 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946074-B2 GLP-1 derivatives and uses thereof NOVO NORDISK A/S (DK) 2021-03-16 US disclosed
WO-2020205846-A1 INHIBITORS OF ALDOSE REDUCTASE APPLIED THERAPEUTICS INC. (US) 2020-10-08 WO disclosed
US-20190038721-A1 GLP-1 DERIVATIVES AND USES THEREOF NOVO NORDISK A/S (DK) 2019-02-07 US disclosed
US-20160108102-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2016-04-21 US disclosed
US-20130244931-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2013-09-19 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-20100305032-A1 Novel GLP-1 Derivatives NOVO NORDISK A/S (DK) 2010-12-02 US disclosed
US-20100305032-A1 Novel GLP-1 Derivatives NOVO NORDISK A/S (DK) 2010-12-02 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
US-20070203058-A1 Novel Glp-1 Derivatives NOVO NORDISK A/S (DK) 2007-08-30 US disclosed
WO-2007084264-A2 METHODS FOR MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. (US) 2007-07-26 WO disclosed
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 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 (11 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-20190038721-A1 GLP-1 DERIVATIVES AND USES THEREOF GLP1R, DPP8, DPP7 CYP3A4 1346/4885SLC7A5 930/4885HRH4 1466/4885
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 CYP3A4 19/4885SLC7A5 2041/4885HRH4 3325/4885
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CYP3A4 16/4885SLC7A5 1641/4885HRH4 2415/4885
US-20160108102-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP CYP3A4 3519/4885SLC7A5 1592/4885HRH4 2337/4885
US-20100305032-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP CYP3A4 3519/4885SLC7A5 1592/4885HRH4 2337/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CYP3A4 18/4885SLC7A5 1562/4885HRH4 2447/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CYP3A4 16/4885SLC7A5 1641/4885HRH4 2415/4885
US-20070203058-A1 Novel Glp-1 Derivatives GLP1R, GIPR, NPY4R CYP3A4 2785/4885SLC7A5 780/4885HRH4 113/4885
US-10946074-B2 GLP-1 derivatives and uses thereof GLP1R, DPP8, DPP7 CYP3A4 1346/4885SLC7A5 930/4885HRH4 1466/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN CYP3A4 3372/4885SLC7A5 3477/4885HRH4 3214/4885
US-20130244931-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP CYP3A4 3519/4885SLC7A5 1592/4885HRH4 2337/4885

“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.