SCHEMBL20133784

SCHEMBL20133784

CCc1ccccc1N1CCN(F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
DRD2 P14416 3/20 0.53
DRD4 P21917 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
DRD3 P35462 3/20 0.53
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.49
NCF1 P14598 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL10424519 0.92 HTR1A (0.59) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL8361520 0.84 DRD2 (0.72) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL8776692 0.83 NCF1 (0.54) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL6514775 0.82 KEAP1 (0.53) HTR1ADRD2DRD4HTR2AHTR2C
Nitrogen SCHEMBL4600854 0.80 NCF1 (0.51) HTR1ADRD2DRD4HTR2AHTR2C
Methylamine SCHEMBL6478870 0.80 NCF1 (0.56) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL28740234 0.80 NCF1 (0.56) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL29156848 0.80 KEAP1 (0.52) HTR1ADRD2DRD4HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL7896018 0.80 KEAP1 (0.52) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL11503777 0.79 MGLL (0.52) HTR1ADRD2DRD4HTR2AHTR2C

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
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR HTR1A 2930/4885DRD2 3229/4885DRD4 3031/4885

“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.