SCHEMBL873662

SCHEMBL873662

Cc1ccnc(N)c1C.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.59
NOS3 P29474 4/20 0.59
TLR7 Q9NYK1 3/20 0.35
NOS1 P29475 1/20 0.34
LIMK1 P53667 1/20 0.33
PRKCI P41743 3/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SIRT3 Q9NTG7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Bicarbonate SCHEMBL4611832 0.79 NOS2 (0.79) NOS2NOS3NOS1LIMK1PRKCI
Trifluoromethanesulfonic Acid SCHEMBL27875541 0.78 NOS2 (0.63) NOS2NOS3TLR7NOS1LIMK1
SCHEMBL29814771 0.77
SCHEMBL34938 0.77
SCHEMBL28287103 0.77 NOS2 (0.58) NOS2NOS3NOS1LIMK1PRKCI
Zinc Ion SCHEMBL30519352 0.75 NOS2 (0.95) NOS2NOS3NOS1LIMK1KDM4E
SCHEMBL30454704 0.75 NOS2 (0.95) NOS2NOS3NOS1LIMK1KDM4E
SCHEMBL30482664 0.75 NOS2 (0.95) NOS2NOS3NOS1LIMK1KDM4E
Hydrochloric Acid SCHEMBL11719745 0.75 NOS2 (0.95) NOS2NOS3NOS1LIMK1KDM4E
SCHEMBL28572816 0.75 NOS2 (0.95) NOS2NOS3NOS1LIMK1KDM4E

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-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US claimed
EP-2619174-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE Ind-Swift Laboratories Limited (IN) 2013-07-31 EP claimed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 US claimed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
US-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US disclosed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 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 (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-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE CYP3A43, UGT1A1, UGT1A7 NOS2 1569/4885NOS3 1619/4885TLR7 3744/4885

“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.