SCHEMBL1018798

SCHEMBL1018798

NC(=O)c1cnn(-c2ccc3c(c2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.41
ENPP2 Q13822 1/20 0.41
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
HTR1A P08908 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1014648 0.88 ALDH1A1 (0.39) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1014267 0.85 HRH3 (0.39) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1018373 0.83 TMEM97 (0.40) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1014022 0.82 HRH3 (0.48) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1014992 0.82 TMEM97 (0.42) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1018277 0.80 TMEM97 (0.40) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1017670 0.79 TMEM97 (0.41) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL1015259 0.79 WNT1 (0.47) HRH3
SCHEMBL1016821 0.78 ALDH1A1 (0.45) HRH3TMEM97SIGMAR1CHRM4ALDH1A1
SCHEMBL1017675 0.78 MAPK8 (0.41) HRH3TMEM97SIGMAR1HTR1AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US claimed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 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 (2 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 HRH3 1/4885ENPP2 833/4885TMEM97 99/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HRH3 1/4885ENPP2 833/4885TMEM97 99/4885

“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.