SCHEMBL20910106

SCHEMBL20910106

CCN(Cc1ccccc1)[C@@H](C)COc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 2/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
DRD1 P21728 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2A P28223 2/20 0.50
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
ESR1 P03372 1/20 0.50
HTR1A P08908 1/20 0.50

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 0.82 SMN1; SMN2 (0.71) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL19479501 0.79 BCHE (0.52) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL19479368 0.78 LIPE (0.48) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL19484891 0.76 BCHE (0.46) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL19485111 0.76 BCHE (0.46) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL12126080 0.74 BCHE (0.54) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL19480712 0.74 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL20895851 0.73 TSHR (0.42) TSHRALDH1A1SMN1; SMN2ADRA2AADRA2B
SCHEMBL20909856 0.73 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2CYP2D6CHRM2
SCHEMBL20895850 0.73 TSHR (0.42) TSHRALDH1A1SMN1; SMN2ADRA2AADRA2B

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 TSHR 195/4885ALDH1A1 504/4885SMN1; SMN2 1231/4885
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 TSHR 221/4885ALDH1A1 589/4885SMN1; SMN2 1344/4885

“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.