SCHEMBL6777684

SCHEMBL6777684

Fc1ccc(OCC(F)(F)F)c(N2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.48
ADRA1A P35348 9/20 0.48
ADRA1B P35368 9/20 0.48
HTR6 P50406 1/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
HTR1A P08908 5/20 0.47
SLC6A3 Q01959 2/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL6503533 0.89 ADRA1A (0.59) ADRA1DADRA1AADRA1BHTR6SLC6A2
Hydrochloric Acid SCHEMBL8474094 0.88 ADRA1A (0.58) ADRA1DADRA1AADRA1BHTR6SLC6A2
Hydrochloric Acid SCHEMBL7836707 0.88 ADRA1A (0.58) ADRA1DADRA1AADRA1BHTR6SLC6A2
SCHEMBL7832918 0.85 HTR3A (0.62) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL5473619 0.84 SLC6A2 (0.62) ADRA1DADRA1AADRA1BHTR6SLC6A2
Hydrochloric Acid SCHEMBL7051344 0.84 HTR3A (0.60) HTR6SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL5858161 0.83 HTR1A (0.61) ADRA1DADRA1AADRA1BHTR6SLC6A2
SCHEMBL7054029 0.81 HTR6 (0.50) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL22753693 0.80 HTR6 (0.45) ADRA1DADRA1AADRA1BHTR6SLC6A2
SCHEMBL16844405 0.79 HTR6 (0.75) HTR6

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 8 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
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 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-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
WO-2002060534-A2 SELECTIVE ALPHA 1 ANTAGONISTS A + D RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-08-08 WO disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 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 (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-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor ADRB1, ADRA1D, ADRA1B ADRA1D 2/4885ADRA1A 4/4885ADRA1B 3/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 ADRA1D 1/4885ADRA1A 9/4885ADRA1B 11/4885

“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.