SCHEMBL6836059

SCHEMBL6836059

CCCOC(=O)CN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1.CS(=O)(=O)O

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.62
DRD2 known ✓ P14416 1/20 0.62
ADRA2B known ✓ P18089 1/20 0.62
ADRA2C known ✓ P18825 1/20 0.62
DRD4 known ✓ P21917 1/20 0.62
SLC6A2 known ✓ P23975 1/20 0.62
HTR2A known ✓ P28223 1/20 0.62
HTR2C known ✓ P28335 1/20 0.62
ADRA1A known ✓ P35348 1/20 0.62
DRD3 known ✓ P35462 1/20 0.62
HTR3A known ✓ P46098 1/20 0.62
SLC6A3 known ✓ Q01959 1/20 0.62
HTR4 Q13639 15/20 0.70
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
ACHE P22303 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL6843006 0.96 HTR4 (0.75) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL8285631 0.91 HTR4 (0.75) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL29470996 0.91 HTR4 (0.75) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6841408 0.91 HTR4 (0.66) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6843077 0.90 HTR4 (0.77) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6841386 0.89 HTR4 (0.68) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL6841284 0.88 HTR4 (0.76) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6840675 0.87 HTR4 (0.72) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6840670 0.87 HTR4 (0.76) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6841270 0.87 HTR4 (0.68) HTR4CYP1A2CYP3A4ADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087622-A1 Benzamide derivative and medicament containing the same KATO HIDEO (JP) 2004-05-06 US disclosed
EP-1149832-B1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU PHARMACEUTICAL (JP) 2003-01-02 EP disclosed
EP-1149832-A1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2001-10-31 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-20040087622-A1 Benzamide derivative and medicament containing the same SLC10A2, FABP2, HDAC6 ADRA2A 172/4885DRD2 1098/4885ADRA2B 490/4885

“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.