SCHEMBL7050353

SCHEMBL7050353

Cc1c(-c2ccccc2)oc2c(C(=O)NCCCCl)cccc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.61
ADRA1A P35348 6/20 0.61
ADRA1D P25100 5/20 0.61
ADRA1B P35368 5/20 0.61
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
ACHE P22303 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL7052213 0.94 HTR1A (0.58) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL8875669 0.90 HTR1A (0.62) HTR1AADRA1AADRA1DADRA1BLMNA
Hydrochloric Acid SCHEMBL8877043 0.88 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL8875540 0.88 HTR1A (0.59) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL11034050 0.86 HTR1A (0.57) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL10988543 0.84 LMNA (0.57) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL10984054 0.84 HTR1A (0.75) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL9567480 0.83 HTR1A (0.57) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL10991960 0.83 HTR1A (0.72) HTR1AADRA1AADRA1DADRA1BLMNA
SCHEMBL10988357 0.82 HTR1A (0.70) HTR1AADRA1AADRA1DADRA1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2002060534-A2 SELECTIVE ALPHA 1 ANTAGONISTS A + D RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-08-08 WO disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US disclosed
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
EP-0756482-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-02-05 EP disclosed
US-5503843-A PATCH HAVING EITHER A LIQUID RESERVOIR OR MONOLITHIC MATRIX CONTAINING A PERMEATION ENHANCER AND 2-PHENYL-3-METHYL-8-(1-(4-(METHOXYPHENYL)PIPERAZIN-1-YL)PROPYLAMINO-4 -CARBONYL-4H-CHROMEN-4-ONE; BENIGN PROSTRATE HYPERPLASIA FLORA INC. (US) 1996-04-02 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
WO-1995028932-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1995-11-02 WO disclosed
US-5453518-A Antispasmodic agents, treatment of urinary incontinence RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-26 US disclosed
EP-0566288-B1 Flavone derivatives RECORDATI CHEM PHARM (CH) 1995-08-02 EP disclosed
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 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 HTR1A 47/4885ADRA1A 4/4885ADRA1D 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.