SCHEMBL6771089

SCHEMBL6771089

COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.76
DRD3 P35462 5/20 0.76
ADRA1D P25100 5/20 0.72
ADRA1A P35348 5/20 0.72
ADRA1B P35368 5/20 0.72
HTR1A P08908 4/20 0.72
ALDH1A1 P00352 2/20 0.72
HTR7 P34969 2/20 0.72
MEN1 O00255 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
ALOX12 P18054 1/20 0.72
KMT2A Q03164 1/20 0.72
HIF1A Q16665 1/20 0.72
HSD17B10 Q99714 1/20 0.72
KDM4E B2RXH2 1/20 0.71
GLA P06280 1/20 0.71
HPGD P15428 1/20 0.71
HTR2A P28223 1/20 0.60
HTR6 P50406 1/20 0.60

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
SCHEMBL10835355 0.87 DRD2 (0.79) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL10835973 0.86 DRD2 (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2510367 0.85 ADRA1D (0.73) DRD2DRD3ADRA1DADRA1AADRA1B
Nan-190 SCHEMBL30080779 0.84 HTR1A (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
Nan-190 SCHEMBL2231820 0.84 HTR1A (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
Nan-190 SCHEMBL29389115 0.84 HTR1A (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2315895 0.83 ADRA1D (0.73) DRD2DRD3ADRA1DADRA1AADRA1B
Nan-190 SCHEMBL29390376 0.83 ALDH1A1 (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
Nan-190 SCHEMBL4083153 0.83 ALDH1A1 (1.00) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL14761599 0.83 HTR1A (0.98) DRD2DRD3ADRA1DADRA1AADRA1B

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 16 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-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
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US 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-6486163-B1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-11-26 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-6387909-B1 VISION DEFECTS; BENIGN PROSTATIC HYPERPLASIA RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-05-14 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-0625514-B1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1999-08-25 EP disclosed
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US disclosed
US-5420130-A Adrenergic blocking agents SYNTHELABO (FR) 1995-05-30 US disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 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 (3 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 DRD2 163/4885DRD3 335/4885ADRA1D 2/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 DRD2 64/4885DRD3 137/4885ADRA1D 1/4885
US-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 DRD2 129/4885DRD3 181/4885ADRA1D 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.