SCHEMBL3781423

SCHEMBL3781423

O=C(OC(F)F)[C@@H]1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PRCP P42785 1/20 0.38
DPP4 P27487 4/20 0.38
DPP7 Q9UHL4 2/20 0.37
HTR2C P28335 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FAP Q12884 1/20 0.36
TLR2 O60603 2/20 0.35
CTSC P53634 1/20 0.34
IDO1 P14902 1/20 0.34
SCN4A P35499 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
SCHEMBL3781419 1.00 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7207956 0.82 NOS2 (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL26118178 0.81 DPP4 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3771163 0.81 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3771160 0.81 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL15391851 0.81 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL84845 0.81 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7782161 0.81 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL19502428 0.81 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
Hydrochloric Acid SCHEMBL16007352 0.79 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858741-B2 Stabilization of the collagen triple helix by O-methylation of hydroxyproline residues WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US claimed
US-20090264626-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-22 US claimed
WO-2009100360-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-08-13 WO claimed
US-7858741-B2 Stabilization of the collagen triple helix by O-methylation of hydroxyproline residues WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20090264626-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-22 US disclosed
WO-2009100360-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-08-13 WO 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-20090264626-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES COL14A1, COL2A1, PLOD3 NOS2 1009/4885NOS3 681/4885NOS1 1378/4885

“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.