SCHEMBL3210347

SCHEMBL3210347

NC(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.54
DRD2 P14416 4/20 0.54
DRD4 P21917 1/20 0.54
CACNA1G O43497 5/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 2/20 0.53
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL1867299 0.83 CACNA1G (0.65) DRD3DRD2DRD4CACNA1GHTR1A
SCHEMBL3200010 0.81 CACNA1G (0.69) DRD3DRD2DRD4CACNA1GSLC6A4
SCHEMBL3210355 0.81 SLC6A2 (0.58) DRD3DRD2DRD4SLC6A4SLC6A2
SCHEMBL3187888 0.81 KCNH2 (0.74) DRD2DRD4CACNA1GHTR1AHTR2A
SCHEMBL3187864 0.80 DRD2 (0.67) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL4739641 0.79 ALDH1A1 (0.70) DRD3DRD2DRD4SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL3207599 0.78 DRD2 (0.65) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL3187550 0.77 DRD2 (0.56) DRD3DRD2DRD4HTR1A
SCHEMBL3200172 0.76 CACNA1G (0.51) DRD3DRD2DRD4CACNA1GHTR1A
SCHEMBL3200957 0.74 HTR1A (0.62) DRD3DRD2CACNA1GHTR1AHTR2A

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 12 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
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
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 claimed
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 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-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 (2 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 DRD3 1/4885DRD2 13/4885DRD4 26/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 DRD3 10/4885DRD2 3/4885DRD4 19/4885

“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.