SCHEMBL5577580

SCHEMBL5577580

O=C(NCc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
HTR2A P28223 4/20 0.59
DRD2 P14416 4/20 0.59
HTR1A P08908 3/20 0.59
HTR2C P28335 3/20 0.59
HRH1 P35367 3/20 0.59
DRD3 P35462 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
DRD4 P21917 3/20 0.59
TMEM97 Q5BJF2 2/20 0.59
CHRM1 P11229 2/20 0.59
DRD1 P21728 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR2B P41595 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MCHR1 Q99705 3/20 0.53

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
SCHEMBL5577719 0.89 CHRM3 (0.55) MAPTHTR2ADRD2HTR1AHTR2C
SCHEMBL5577761 0.84 CHRM3 (0.58) MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL5577895 0.84 DRD2 (0.53) HTR2ADRD2HTR1ADRD3DRD4
SCHEMBL5577595 0.84 SMN1; SMN2 (0.58) MAPTDRD2DRD3DRD4HTT
SCHEMBL5577527 0.84 OPRM1 (0.54) HTR2ADRD2HTR1AHTR2CDRD3
SCHEMBL17704541 0.83 ALDH1A1 (0.61) MAPTDRD2DRD3SIGMAR1DRD4
SCHEMBL5577738 0.82 OPRM1 (0.52) MAPTHTR2ADRD2HTR1AHTR2C
SCHEMBL5577844 0.81 SCN10A (0.56) HTR2AHTR2CCHRM1MCHR1CYP2D6
SCHEMBL5577887 0.81 OPRM1 (0.51) MAPTHTR2ADRD2HTR1AHTR2C
SCHEMBL5577531 0.81 MT-CO2 (0.54) MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MAPT 449/4885HTR2A 2585/4885DRD2 4468/4885

“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.