SCHEMBL8147688

SCHEMBL8147688

O=C1CCN1c1ccccc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.53
HTR1A P08908 5/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
HTR6 P50406 5/20 0.49
HTR7 P34969 3/20 0.49
HTR3A P46098 3/20 0.49
HTR2A P28223 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL15834279 0.81 ADRB1 (0.75) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6984223 0.76 ADRB1 (0.49) ADRB1HTR1AHTR6HTR7HTR3A
SCHEMBL27696146 0.76 KEAP1 (0.46) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL22652955 0.75 ADRB1 (0.67) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17276365 0.75 ADRB1 (0.67) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8457378 0.74 ADRB1 (0.60) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL15834278 0.74 ADRB1 (0.64) ADRB1HTR1AHTR6HTR7HTR3A
SCHEMBL5480318 0.73 ADRB1 (0.57) ADRB1HTR1AHTR7HTR3AHTR2A
SCHEMBL5540086 0.72 ADRB1 (0.62) ADRB1HTR1AHTR6HTR7HTR3A
SCHEMBL532010 0.72 KEAP1 (0.64) ADRB1HTR1AHTR6HTR7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
WO-2008005268-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2008-01-10 WO disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 ADRB1 4727/4885HTR1A 3136/4885SLC6A2 4851/4885

“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.