SCHEMBL8737585

SCHEMBL8737585

Cc1cc(N=O)ccc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
ADRB1 P08588 4/20 0.53
HTR1A P08908 8/20 0.44
HTR7 P34969 3/20 0.44
ALDH1A1 P00352 1/20 0.41
ALDH1A3 P47895 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ADRB2 P07550 1/20 0.40
PTGS1 P23219 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL8736858 0.81 MAPT (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8737447 0.79 ALDH1A1 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL255197 0.78 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL28239107 0.77 NCF1 (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14878940 0.77 HTR3E (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2534803 0.76 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL10155949 0.75 HTT (0.41) ALDH1A1ALDH1A3HTR6
SCHEMBL10156763 0.75 LGMN (0.41) ALDH1A1ALDH1A3
SCHEMBL7057761 0.75 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30609639 0.75 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C

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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R HTR3A 93/4885HTR3E 182/4885HTR3B 120/4885

“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.