SCHEMBL6211706

SCHEMBL6211706

N#Cc1ccc2c(c1)C(CCNC(=O)c1ccc(-c3ccccc3)cc1)CO2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.64
DRD3 P35462 10/20 0.64
CHRM4 P08173 1/20 0.50
CD274 Q9NZQ7 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2C P28335 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HCRTR2 O43614 1/20 0.41
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL6213823 0.90 DRD2 (0.53) DRD2DRD3CHRM4CD274HTR1A
SCHEMBL6212310 0.89 DRD2 (0.52) DRD2DRD3CHRM4CD274HTR1A
SCHEMBL6214905 0.87 DRD2 (0.51) DRD2DRD3CHRM4CD274HTR1A
SCHEMBL6214883 0.87 DRD2 (0.51) DRD2DRD3CHRM4CD274HTR1A
SCHEMBL6211973 0.85 DRD2 (0.49) DRD2DRD3CHRM4CD274HTR1A
SCHEMBL2640158 0.83 F10 (0.52) DRD2DRD3CD274HTR1AHTR1D
SCHEMBL7396033 0.81 DRD2 (0.89) DRD2DRD3CD274
SCHEMBL7396038 0.81 DRD2 (0.89) DRD2DRD3CD274
SCHEMBL7396036 0.81 DRD2 (0.89) DRD2DRD3CD274
Hydrochloric Acid SCHEMBL7685287 0.80 DRD2 (0.87) DRD2DRD3CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO 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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 DRD2 2065/4885DRD3 2125/4885CHRM4 4815/4885

“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.