SCHEMBL6772918

SCHEMBL6772918

O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.69
ADRA1B P35368 15/20 0.69
ADRA1D P25100 13/20 0.69
DRD2 P14416 2/20 0.61
DRD3 P35462 2/20 0.61
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX12 P18054 1/20 0.58
HTR7 P34969 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL6770339 0.91 DRD2 (0.70) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL10835477 0.85 DRD2 (0.79) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5422074 0.83 ADRA1A (0.66) ADRA1AADRA1BADRA1DCYP3A4HTR7
SCHEMBL7834161 0.82 ADRA1A (0.65) ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL12013914 0.82 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL5416601 0.81 ADRA1A (0.69) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL7835589 0.81 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL6771547 0.81 ADRA1A (0.66) ADRA1AADRA1BADRA1DCYP3A4
Hydrochloric Acid SCHEMBL5430150 0.81 ADRA1A (0.68) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL14300837 0.80 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4

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-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 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-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 ADRA1A 9/4885ADRA1B 11/4885ADRA1D 1/4885

“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.