SCHEMBL4047581

SCHEMBL4047581

CCOC(=O)C(C(OCC)OCC)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL3948095 0.80 ALDH1A1 (0.37) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL9075640 0.78 ALDH1A1 (0.36) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL9076416 0.77 ALDH1A1 (0.34) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL10073238 0.74 ALDH1A1 (0.32) ALDH1A1MAPTLMNACRHBPCRHR2
SCHEMBL15374942 0.74 ALDH1A1 (0.39) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL12069017 0.74 ALDH1A1 (0.39) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL1483917 0.74 ALDH1A1 (0.39) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL8141833 0.73 MAPT (0.34) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL1226242 0.73 ALDH1A1 (0.42) ALDH1A1NPC1MAPTLMNACRHBP
SCHEMBL26782646 0.73 ALOX15 (0.44) ALDH1A1NPC1MAPTLMNACRHBP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
CN-101495480-A Constrained compounds as cgrp-receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN disclosed
EP-2013214-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 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 (3 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA ALDH1A1 296/4885NPC1 3702/4885MAPT 334/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA ALDH1A1 421/4885NPC1 3538/4885MAPT 637/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL ALDH1A1 3451/4885NPC1 1431/4885MAPT 1104/4885

“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.