SCHEMBL19484271

SCHEMBL19484271

CCN[C@@H](C)COc1ccc(OC(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
SCN10A Q9Y5Y9 3/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE2A O00408 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL19484272 1.00 ACACB (0.40) ACACBSCN10ALMNAL3MBTL1PDE2A
SCHEMBL19479367 0.81 HPGD (0.47) ACACBLMNAL3MBTL1TRPV3
SCHEMBL19484455 0.81 HPGD (0.47) ACACBLMNAL3MBTL1TRPV3
SCHEMBL19484457 0.76 KDM4E (0.42) ACACBALDH1A1
SCHEMBL19480970 0.76 ACACB (0.37) ACACBL3MBTL1ALDH1A1
SCHEMBL19484456 0.76 KDM4E (0.42) ACACBALDH1A1
SCHEMBL19484458 0.76 ACACB (0.37) ACACBL3MBTL1ALDH1A1
SCHEMBL19480711 0.73 SIGMAR1 (0.35) ACACBLMNATRPV3
SCHEMBL19480704 0.73 SIGMAR1 (0.35) ACACBLMNATRPV3
SCHEMBL7600033 0.70

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
US-10787432-B2 N-[(pyridyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-09-29 US disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
WO-2017178340-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 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 (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-10787432-B2 N-[(pyridyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 ACACB 2623/4885SCN10A 686/4885LMNA 1670/4885
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 ACACB 2929/4885SCN10A 615/4885LMNA 2244/4885

“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.