SCHEMBL6898517

SCHEMBL6898517

Nc1nc(-c2ccc(F)cc2)c(CCN2CCC(c3coc4cc(F)ccc34)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
DRD4 P21917 2/20 0.46
CTSS P25774 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
SLC6A4 P31645 2/20 0.39
ACHE P22303 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PRCP P42785 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR6 P50406 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6890629 0.90 CTSS (0.43) HTR2ADRD4CTSSDRD2DRD3
SCHEMBL8555139 0.73 HTR2A (0.60) HTR2ADRD4HTR1AHTR2CHTR6
SCHEMBL8552641 0.72 DRD4 (0.44) HTR2ADRD4PRCP
SCHEMBL6891267 0.72 ALDH1A1 (0.52) HTR2ADRD4
SCHEMBL8553513 0.71 HTR2A (0.59) HTR2ADRD4DRD2HTR1AHTR2C
SCHEMBL7697170 0.71 DRD2 (0.53) HTR2ADRD4DRD2DRD3SLC6A4
Hydrochloric Acid SCHEMBL8556568 0.71 HTR2A (0.58) HTR2ADRD4DRD2HTR1AHTR2C
SCHEMBL8809389 0.70 DRD2 (0.39) HTR2ACTSSDRD2DRD3SLC6A4
SCHEMBL8810833 0.70 DRD2 (0.43) HTR2ADRD4CTSSDRD2DRD3
SCHEMBL8810773 0.69 DRD2 (0.39) HTR2ACTSSDRD2DRD3SLC6A4

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
JP-10095781-A None JP disclosed
US-6806275-B2 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION NIHON NOHYAKU CO., LTD. (JP) 2004-10-19 US disclosed
US-20020156283-A1 Arylpiperidine derivatives and use thereof NIHON NOHYAKU CO., LTD. (JP) 2002-10-24 US disclosed
US-6407121-B1 DOPAMINE D4 RECEPTOR ANTAGONISTS; PSYCHOLOGICAL AND BRAIN DISORDERS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA; SIDE EFFECT REDUCTION NIHON NOHYAKU CO., LTD. (JP) 2002-06-18 US disclosed
EP-1070715-A1 ARYLPIPERIDINE DERIVATIVES AND USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2001-01-24 EP disclosed
JP-H1095781-A ARYLPIPERIDINE DERIVATIVE NIPPON NOHYAKU CO LTD 1998-04-14 JP 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-20020156283-A1 Arylpiperidine derivatives and use thereof DRD1, DRD4, DRD2 HTR2A 37/4885DRD4 2/4885CTSS 3608/4885

“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.