SCHEMBL6890629

SCHEMBL6890629

Oc1nc(-c2ccc(F)cc2)c(CCN2CCC(c3coc4cc(F)ccc34)CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
DRD3 P35462 3/20 0.42
SLC6A4 P31645 2/20 0.40
ACHE P22303 2/20 0.40
DRD4 P21917 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRCP P42785 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
SCHEMBL6898517 0.90 HTR2A (0.46) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL7697170 0.71 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4ACHE
SCHEMBL8809389 0.71 DRD2 (0.39) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8917974 0.70 DRD2 (0.38) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8920393 0.70 CTSS (0.48) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8916164 0.70 CTSS (0.48) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8918060 0.69 CTSS (0.48) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8920342 0.69 CTSS (0.49) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8916650 0.69 DRD2 (0.39) DRD2HTR2ADRD3SLC6A4ACHE
SCHEMBL8810725 0.69 DRD2 (0.39) CTSSDRD2HTR2ADRD3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSS 3608/4885DRD2 3/4885HTR2A 37/4885

“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.