SCHEMBL20909856

SCHEMBL20909856

CCN(Cc1ccccc1)[C@@H](C)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
SLC22A3 O75751 1/20 0.55
ESR1 P03372 1/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
CHRM3 P20309 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55

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
SCHEMBL11684275 0.86 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL19479368 0.84 LIPE (0.48) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL19480712 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL19484891 0.77 BCHE (0.46) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL19485111 0.77 BCHE (0.46) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL15960915 0.75 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL18963224 0.75 MAOB (0.39) ALDH1A1LMNAPSMB5TRPM8
SCHEMBL19479501 0.74 BCHE (0.52) ALDH1A1SMN1; SMN2TSHRHRH3SLC22A2
SCHEMBL9816878 0.74 HTR2A (0.56) ALDH1A1SMN1; SMN2TSHRHTR1AADRA2A
SCHEMBL9816873 0.74 HTR2A (0.56) ALDH1A1SMN1; SMN2TSHRHTR1AADRA2A

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-10787432-B2 N-[(pyridyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-09-29 US disclosed
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-04-18 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-10787432-B2 N-[(pyridyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 ALDH1A1 504/4885SMN1; SMN2 1231/4885TSHR 195/4885
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 ALDH1A1 589/4885SMN1; SMN2 1344/4885TSHR 221/4885

“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.