SCHEMBL6503533

SCHEMBL6503533

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.59
ADRA1B P35368 14/20 0.59
ADRA1D P25100 12/20 0.59
HTR1A P08908 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 1/20 0.48
HTR6 P50406 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
Hydrochloric Acid SCHEMBL8474094 0.99 ADRA1A (0.58) ADRA1AADRA1BADRA1DHTR1ASLC6A2
Hydrochloric Acid SCHEMBL7836707 0.99 ADRA1A (0.58) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL6777684 0.89 ADRA1D (0.48) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL7821267 0.86 ADRA1D (0.46) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL7830587 0.85 HTR3E (0.51) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL7830344 0.85 ADRA1A (0.45) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL7821743 0.85 HTR1A (0.49) ADRA1AADRA1BADRA1DHTR1ASLC6A4
SCHEMBL5473619 0.84 SLC6A2 (0.62) ADRA1AADRA1BADRA1DHTR1ASLC6A2
Bromide SCHEMBL7840522 0.84 ADRA1A (0.44) ADRA1AADRA1BADRA1DHTR1ASLC6A2
SCHEMBL6194097 0.83 SLC6A2 (0.52) HTR1ASLC6A2SLC6A4SLC6A3HTR6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841682-B2 Heterocycles useful in the treatment of benign prostatic hyperplasia JANSEEN PHARMACEUTICA N.V. (BE) 2005-01-11 US disclosed
EP-1273572-B1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
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-1200445-B1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-09-17 EP disclosed
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP disclosed
US-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMOANY 2002-12-19 US disclosed
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US disclosed
US-6486163-B1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-11-26 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
US-6306861-B1 ANTISPASMODIC AGENTS AND TREATMENT OF INCONSTANCE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-23 US disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed
WO-2001029015-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES AS ALPHA1-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2001-04-26 WO disclosed
WO-2001009140-A1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-02-08 WO disclosed
EP-1025085-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-09 EP disclosed
WO-1999019299-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-22 WO disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 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 (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-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring NLN, GLS, CPT1B ADRA1A 525/4885ADRA1B 508/4885ADRA1D 353/4885
US-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 ADRA1A 28/4885ADRA1B 37/4885ADRA1D 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.