SCHEMBL2366622

SCHEMBL2366622

C=Cc1cc(C)ccc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.51
HTR3A P46098 14/20 0.51
ADRB1 P08588 5/20 0.47
HTR6 P50406 4/20 0.46
ADRB2 P07550 3/20 0.46
HTR2C P28335 3/20 0.46
HRH1 P35367 3/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
HTR1B P28222 3/20 0.46
HTR7 P34969 3/20 0.46
HTR5A P47898 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
HRH2 P25021 2/20 0.46

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
SCHEMBL19619032 0.79 HTR1A (0.71) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL255197 0.78 HTR3A (0.67) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL27848226 0.77 ALDH1A1 (0.57)
SCHEMBL22542113 0.77 HTR3A (0.48) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL17281590 0.76 ADRB1 (0.56) HTR1AHTR3AADRB1HTR6HTR1B
SCHEMBL233944 0.76 HTR3A (0.61) HTR1AHTR3AADRB1HTR6ADRB2
Hydrochloric Acid SCHEMBL2534803 0.76 HTR3A (0.68) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL13398441 0.75 HTR3A (0.55) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL8699310 0.75 HTR3A (0.55) HTR1AHTR3AADRB1HTR6ADRB2
SCHEMBL3920957 0.75 HTR3A (0.55) HTR1AHTR3AADRB1HTR6ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 CN disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
CN-102239152-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2011-11-09 CN disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 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-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HTR1A 4013/4885HTR3A 3071/4885ADRB1 4534/4885

“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.