SCHEMBL3674700

SCHEMBL3674700

NC(=O)CCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.72
DRD4 P21917 7/20 0.72
DRD2 P14416 6/20 0.72
HTR2A P28223 6/20 0.72
HTR7 P34969 6/20 0.72
DRD3 P35462 6/20 0.72
HTR2C P28335 5/20 0.72
TMEM97 Q5BJF2 2/20 0.68
SIGMAR1 Q99720 2/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
POLB P06746 1/20 0.63
KCNH2 Q12809 1/20 0.63
HRH3 Q9Y5N1 2/20 0.60

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
SCHEMBL4405017 0.84 THRB (0.65) HTR1ADRD4DRD2DRD3LMNA
SCHEMBL4519313 0.84 KCNH2 (0.85) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL26107525 0.84 KCNH2 (0.85) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL26108725 0.84 KCNH2 (0.85) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL9631347 0.83 HTR1A (0.79) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL5009465 0.83 HTR1A (0.78) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL16862217 0.82 HTR1A (0.64) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL9492781 0.82 KCNH2 (0.69) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL6989330 0.82 KCNH2 (0.69) HTR1ADRD4DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL26108256 0.82 KCNH2 (0.83) HTR1ADRD4DRD2HTR2AHTR7

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
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
EP-2238125-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NeuroSearch A/S (DK) 2010-10-13 EP claimed
WO-2009095438-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2009-08-06 WO claimed
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US disclosed
EP-2238125-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NeuroSearch A/S (DK) 2010-10-13 EP disclosed
WO-2009095438-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2009-08-06 WO 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-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS HTR3A, HTR2A, HTR5A HTR1A 5/4885DRD4 23/4885DRD2 12/4885

“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.