SCHEMBL3207003

SCHEMBL3207003

NC(=O)CCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.67
HTR7 P34969 2/20 0.67
KCNH2 Q12809 1/20 0.67
CYP2D6 P10635 1/20 0.66
DRD2 P14416 2/20 0.62
HTR2A P28223 1/20 0.62
CACNA1G O43497 1/20 0.60
SIGMAR1 Q99720 2/20 0.59
DRD3 P35462 1/20 0.58

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
SCHEMBL11247532 0.94 KCNH2 (0.73) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL11260878 0.94 KCNH2 (0.73) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL3870090 0.92 HTR1A (0.69) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL8045431 0.89 KCNH2 (0.69) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL3197065 0.86 CACNA1G (0.52) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL2386501 0.86 GFER (0.54) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL11338189 0.86 HTR1A (0.65) HTR1AHTR7KCNH2CYP2D6DRD2
SCHEMBL3194779 0.85 HTR7 (0.55) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL4515279 0.84 KDM4E (0.58) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL11828902 0.84 HTR1A (0.68) HTR1AHTR7KCNH2DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP claimed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 WO claimed
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 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 (3 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 HTR1A 66/4885HTR7 119/4885KCNH2 1015/4885
US-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES GRIN2D, GRIK5, GRIK4 HTR1A 398/4885HTR7 236/4885KCNH2 1292/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HTR1A 15/4885HTR7 17/4885KCNH2 769/4885

“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.