SCHEMBL5220798

SCHEMBL5220798

CN(C)c1ccccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
PTGS2 P35354 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
PSMB5 P28074 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HTR6 P50406 1/20 0.39
HTR2C P28335 7/20 0.38
HTR2A P28223 6/20 0.38
HTR2B P41595 6/20 0.38
HRH3 Q9Y5N1 5/20 0.38
NTSR1 P30989 1/20 0.37

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
Hydrochloric Acid SCHEMBL28515535 0.98 HTR1D (0.41) HTR1DHTR1BPTGS2HTR1AHTR7
Hydrochloric Acid SCHEMBL28502715 0.98 HTR1D (0.41) HTR1DHTR1BPTGS2HTR1AHTR7
Hydrochloric Acid SCHEMBL28520193 0.96 HTR1D (0.42) HTR1DHTR1BPTGS2HTR1AHTR7
SCHEMBL21391421 0.84 NTSR1 (0.36) HTR1DHTR1BPTGS2HTR1AHTR7
SCHEMBL28855915 0.83 HTR1A (0.42) HTR1DHTR1BPTGS2HTR1AHTR7
SCHEMBL12554649 0.81 NTSR1 (0.41) HTR2CNTSR1
SCHEMBL15818392 0.81 HTR2C (0.59) HTR1AHTR2C
SCHEMBL2969965 0.80 PTGS2 (0.40) HTR1DHTR1BPTGS2HTR1AHTR7
SCHEMBL3857913 0.80 PTGS2 (0.43) HTR1DHTR1BPTGS2HTR1AHTR7
Hydrochloric Acid SCHEMBL7666084 0.79 HTR2C (0.61) HTR1AHTR2C

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 7 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
CN-105612217-A Crosslinking composition having excellent storage stability DAISO CO LTD 2016-05-25 CN disclosed
US-20070287086-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SONY CORPORATION (JP) 2007-12-13 US disclosed
US-20070287087-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-12-13 US disclosed
EP-1860502-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system Sumitomo Chemical Company, Limited (JP) 2007-11-28 EP disclosed
EP-1860503-A2 Colored photosensitive resin composition, color filter, image sensor, and camera system Sumitomo Chemical Company, Limited (JP) 2007-11-28 EP 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 HTR1D 2782/4885HTR1B 2233/4885PTGS2 2995/4885

“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.