SCHEMBL22159394

SCHEMBL22159394

Fc1ccc(N2[CH]CNCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.38
TDO2 P48775 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
HTR6 P50406 2/20 0.33
DHFR P00374 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PLD1 Q13393 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
ADRB1 P08588 1/20 0.32
AOC3 Q16853 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PARP1 P09874 1/20 0.31
TNK2 Q07912 1/20 0.31
TNK1 Q13470 1/20 0.31

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
SCHEMBL2494154 0.81 GRIN2D (0.40) PLD1HRH3
SCHEMBL1594249 0.76 PLD1 (0.53) BPTFHTR1AHTR7HTR2BHTR6
SCHEMBL3534837 0.75 PLD1 (0.61) BPTFHTR7PLD1
Hydrochloric Acid SCHEMBL20140251 0.75 PLD1 (0.51) BPTFHTR1AHTR7HTR2BHTR6
Hydrochloric Acid SCHEMBL26633229 0.75 PLD1 (0.51) BPTFHTR1AHTR7HTR2BHTR6
SCHEMBL4094720 0.74 HTR7 (0.39) BPTFHTR1AHTR7HTR2BHTR6
SCHEMBL15659725 0.73 PLD1 (0.38) GPR119PLD1HRH3PARP1
SCHEMBL30567143 0.71 HTR1A (0.51) BPTFHTR1AHTR7HTR2BHTR6
SCHEMBL13600182 0.71 HTR1A (0.51) BPTFHTR1AHTR7HTR2BHTR6
SCHEMBL3482920 0.69 HTR2C (0.38) HTR1AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 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-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR BPTF 1945/4885TDO2 4256/4885HTR1A 2930/4885

“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.