SCHEMBL20686199

SCHEMBL20686199

O=C([C@@H]1CCCN1)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
DPP4 P27487 6/20 0.42
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
FAP Q12884 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PRCP P42785 1/20 0.39
GLI1 P08151 2/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN4A P35499 1/20 0.37

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
SCHEMBL860138 0.80 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL7192624 0.80 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL800609 0.80 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL9774279 0.80 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL14296385 0.80 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27859825 0.78 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
D-Proline SCHEMBL16241649 0.77 MEN1 (0.47) NOS2NOS3NOS1DPP4DPP8
Proline SCHEMBL28678649 0.77 MEN1 (0.47) NOS2NOS3NOS1DPP4DPP8
SCHEMBL7400921 0.77 NOS2 (0.41) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28793427 0.77 NOS2 (0.41) NOS2NOS3NOS1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889544-B2 Ionic liquids comprising heteraromatic anions UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-01-12 US disclosed
US-20190031608-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS UNITED STATES DEPARTMENT OF ENERGY 2019-01-31 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 (2 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-10889544-B2 Ionic liquids comprising heteraromatic anions PIP4K2C, PIP4K2A, PIP4K2B NOS2 2340/4885NOS3 3109/4885NOS1 3705/4885
US-20190031608-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS PIP4K2C, PIP4K2A, PIP4K2B NOS2 2340/4885NOS3 3109/4885NOS1 3705/4885

“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.