SCHEMBL1968564

SCHEMBL1968564

COc1ccc(CCNCC(F)(F)F)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 1/20 0.55
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA5A P35218 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALOX15 P16050 1/20 0.52
ADRB2 P07550 1/20 0.52
SLC2A1 P11166 1/20 0.52
SMPD1 P17405 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL7435099 0.85 ATM (0.76) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL31137784 0.84 HTT (0.61) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9781209 0.84 HTT (0.61) ATMPOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11808765 0.83 ATM (0.73) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL6775446 0.83 CA12 (0.51) SMN1; SMN2KDM4EALDH1A1KMT2ATDP1
SCHEMBL11575410 0.81 ATM (0.65) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1966411 0.80 ATM (0.69) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4109056 0.80 KDM4E (0.71) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1972067 0.79 SIGMAR1 (0.70) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL11811971 0.79 SLC2A1 (0.68) ATMPOLBSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ATM 4794/4885POLB 4374/4885SMN1; SMN2 3751/4885

“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.