SCHEMBL6771682

SCHEMBL6771682

NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.60
ADRA1B P35368 10/20 0.60
ADRA1D P25100 9/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
CYP2D6 P10635 1/20 0.50
HTR1A P08908 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
NLRP1 Q9C000 1/20 0.47

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
SCHEMBL7835709 0.87 ADRA1A (0.60) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL9028727 0.87 ADRA1A (0.60) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL8828610 0.87 DRD2 (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6771547 0.86 ADRA1A (0.66) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL8828778 0.84 DRD2 (0.53) CYP2C9CYP2C19DRD2DRD3CYP2D6
SCHEMBL9027785 0.84 ADRA1A (0.52) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL9027568 0.83 ADRA1A (0.53) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL8828465 0.83 DRD2 (0.64) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL7802811 0.82 DRD2 (0.51) CYP2C9CYP2C19DRD2DRD3CYP2D6
SCHEMBL6770339 0.81 DRD2 (0.70) ADRA1AADRA1BADRA1DCYP3A4CYP2C9

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 5 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
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP 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 ADRA1A 4/4885ADRA1B 3/4885ADRA1D 2/4885

“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.