SCHEMBL6219065

SCHEMBL6219065

CC1CC(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.70
DRD2 P14416 10/20 0.70
HTR1A P08908 5/20 0.61
HTR7 P34969 2/20 0.61
KCNH2 Q12809 5/20 0.59
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ABCB11 O95342 1/20 0.56
PGR P06401 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPT P10636 1/20 0.56
CHRM1 P11229 1/20 0.56
GOT1 P17174 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL9366449 1.00 HTR2A (0.70) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL9366415 1.00 HTR2A (0.70) HTR2ADRD2HTR1AHTR7KCNH2
Hydrochloric Acid SCHEMBL9366488 0.98 HTR2A (0.68) HTR2ADRD2HTR1AHTR7KCNH2
Hydrochloric Acid SCHEMBL9367301 0.98 HTR2A (0.68) HTR2ADRD2HTR1AHTR7KCNH2
Hydrochloric Acid SCHEMBL9366678 0.98 HTR2A (0.68) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6261335 0.95 HTR2A (0.65) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6259705 0.95 HTR2A (0.65) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6219090 0.95 HTR2A (0.65) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL9367513 0.89 HTR2A (0.61) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL9366277 0.89 HTR2A (0.61) HTR2ADRD2HTR1AHTR7KCNH2

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
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP claimed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO disclosed
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP disclosed
US-5350747-A Heteroaryl piperazine antipsychotic agents PFIZER INC (US) 1994-09-27 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HTR2A 16/4885DRD2 2/4885HTR1A 17/4885

“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.