SCHEMBL6770339

SCHEMBL6770339

O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.70
DRD3 P35462 6/20 0.70
ADRA1A P35348 7/20 0.67
ADRA1B P35368 7/20 0.67
ADRA1D P25100 6/20 0.67
HTR1A P08908 4/20 0.67
HTR7 P34969 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 2/20 0.67
MEN1 O00255 1/20 0.67
CYP2D6 P10635 1/20 0.67
ALOX12 P18054 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KDM4E B2RXH2 1/20 0.65
GLA P06280 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL6772918 0.91 ADRA1A (0.69) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL5416601 0.90 ADRA1A (0.69) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL5430150 0.89 ADRA1A (0.68) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL5157991 0.86 ADRA1A (0.62) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL5424177 0.85 ADRA1A (0.62) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL7800106 0.84 DRD2 (0.70) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6406164 0.84 ADRA1A (0.57) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL5428298 0.84 ADRA1A (0.61) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6212178 0.83 ADRA1A (0.56) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6073066 0.83 ADRA1A (0.58) DRD2DRD3ADRA1AADRA1BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
US-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-05 US disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 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-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor ADRB1, ADRA1D, ADRA1B DRD2 163/4885DRD3 335/4885ADRA1A 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.