SCHEMBL1456530

SCHEMBL1456530

O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 1.00
DRD2 P14416 4/20 0.66
HTR2A P28223 3/20 0.66
HTR6 P50406 3/20 0.66
DRD1 P21728 3/20 0.66
HTR2C P28335 2/20 0.66
ADRA1A P35348 2/20 0.66
HTR1A P08908 1/20 0.54
KCNH2 Q12809 1/20 0.53
DRD3 P35462 2/20 0.53
DRD4 P21917 1/20 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
SCHEMBL1456479 0.89 HTR7 (0.88) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL1455629 0.88 HTR7 (1.00) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4612142 0.83 HTR7 (1.00) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4612355 0.80 HTR7 (1.00) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4612207 0.80 HTR7 (1.00) HTR7DRD2HTR2AHTR6DRD1
Hydrochloric Acid SCHEMBL4612036 0.79 HTR7 (0.83) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4612265 0.78 HTR7 (1.00) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4613692 0.77 HTR7 (0.80) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL9373707 0.77 HTR7 (0.69) HTR7DRD2HTR2AHTR6DRD1
SCHEMBL4519313 0.76 KCNH2 (0.85) HTR7DRD2HTR2AHTR6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910591-B2 e.g. 3-[4-(4-Pyridine-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one; serotonin 5-HT7 and alpha 1 receptors modulator; antxiolytic agent, antidepressant; neurodegenerative diseases; schizophrenia, Alzheimer's disease, stroke, dementias; side effect reduction EGIS GYOGYSZERGYAR NYRT. (HU) 2011-03-22 US claimed
EP-1751105-B1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYOGYSZERGYAR NYRT (HU) 2008-10-29 EP claimed
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2008-07-03 US claimed
EP-1751105-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP claimed
WO-2005108364-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO claimed
US-7910591-B2 e.g. 3-[4-(4-Pyridine-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one; serotonin 5-HT7 and alpha 1 receptors modulator; antxiolytic agent, antidepressant; neurodegenerative diseases; schizophrenia, Alzheimer's disease, stroke, dementias; side effect reduction EGIS GYOGYSZERGYAR NYRT. (HU) 2011-03-22 US disclosed
EP-1751105-B1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYOGYSZERGYAR NYRT (HU) 2008-10-29 EP disclosed
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2008-07-03 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-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles TPH2, CNR2, HTR5A HTR7 25/4885DRD2 28/4885HTR2A 4/4885

“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.